ChemSpider 2D Image | N-{(2R)-2-Hydroxy-2-[(8S,11S)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]ethyl}-N-(3-methylbutyl)benzenesulfonamide | C30H43N3O6S

N-{(2R)-2-Hydroxy-2-[(8S,11S)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]ethyl}-N-(3-methylbutyl)benzenesulfonamide

  • Molecular FormulaC30H43N3O6S
  • Average mass573.744 Da
  • Monoisotopic mass573.287231 Da
  • ChemSpider ID410367

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Benzenesulfonamide, N-[(2R)-2-hydroxy-2-[(8S,11S)-8-(1-methylethyl)-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-13,15,16-trien-11-yl]ethyl]-N-(3-methylbutyl)- [ACD/Index Name]
N-[2-Hydroxy-2-(8-Isopropyl-6,9-Dioxo-2-Oxa-7,10-Diaza-Bicyclo[11.2.2]Heptadeca-1(16),13(17),14-Trien-11-Yl)-Ethyl]-N-(3-Methyl-Butyl)-Benzenesulfonamide,Inhibitor 3
N-{(2R)-2-Hydroxy-2-[(8S,11S)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]ethyl}-N-(3-methylbutyl)benzenesulfonamide [ACD/IUPAC Name]
N-{(2R)-2-Hydroxy-2-[(8S,11S)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadéca-1(15),13,16-trién-11-yl]éthyl}-N-(3-méthylbutyl)benzènesulfonamide [French] [ACD/IUPAC Name]
N-{(2R)-2-Hydroxy-2-[(8S,11S)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]ethyl}-N-(3-methylbutyl)benzolsulfonamid [German] [ACD/IUPAC Name]
(2R)-2-[(8S,11S)-6,9-dioxo-8-(propan-2-yl)-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-2-hydroxy-N-(3-methylbutyl)-S-phenylethane-1-sulfonamido
(2R)-2-hydroxy-2-[(8S,11S)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]-N-(3-methylbutyl)-S-phenylethanesulfonamido
3-{(1R)-1-Hydroxy-2-[(3-methylbutyl)(phenylsulfonyl)amino]ethyl}(3S,6S)-4,7-diaza-6-(methylethyl)-12-oxabicyclo[11.2.2]heptadeca-1(15),13,16-triene-5,8-dione
HBB
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL288010/
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS050802 [DBID]
AIDS-050802 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.540
Molar Refractivity: 156.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.47
ACD/LogD (pH 5.5): 4.06
ACD/BCF (pH 5.5): 714.67
ACD/KOC (pH 5.5): 3842.13
ACD/LogD (pH 7.4): 4.06
ACD/BCF (pH 7.4): 714.67
ACD/KOC (pH 7.4): 3842.13
Polar Surface Area: 133 Å2
Polarizability: 61.9±0.5 10-24cm3
Surface Tension: 41.9±3.0 dyne/cm
Molar Volume: 498.1±3.0 cm3

Click to predict properties on the Chemicalize site


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