ChemSpider 2D Image | (3R,5S,8S)-N-{(2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-8-(2-methyl-2-propanyl)-7,10-dioxo-2,11-dioxa-6,9,24-triazatetracyclo[16.6.2.1~3,6~.0~21,25~]heptacosa-1(24),16,18(26),19,21(2 5),22-hexaene-5-carboxamide | C36H45N5O8S

(3R,5S,8S)-N-{(2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-8-(2-methyl-2-propanyl)-7,10-dioxo-2,11-dioxa-6,9,24-triazatetracyclo[16.6.2.13,6.021,25]heptacosa-1(24),16,18(26),19,21(2 5),22-hexaene-5-carboxamide

  • Molecular FormulaC36H45N5O8S
  • Average mass707.836 Da
  • Monoisotopic mass707.298889 Da
  • ChemSpider ID13164865

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3R,5S,8S)-N-{(2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-8-(2-methyl-2-propanyl)-7,10-dioxo-2,11-dioxa-6,9,24-triazatetracyclo[16.6.2.13,6.021,25]heptacosa-1(24),16,18(26),19,21(2 ; 5),22-hexaen-5-carboxamid [German] [ACD/IUPAC Name]
(3R,5S,8S)-N-{(2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-8-(2-methyl-2-propanyl)-7,10-dioxo-2,11-dioxa-6,9,24-triazatetracyclo[16.6.2.13,6.021,25]heptacosa-1(24),16,18(26),19,21(2 ; 5),22-hexaene-5-carboxamide [ACD/IUPAC Name]
(3R,5S,8S)-N-{(2S)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-8-(2-méthyl-2-propanyl)-7,10-dioxo-2,11-dioxa-6,9,24-triazatétracyclo[16.6.2.13,6.021,25]heptacosa-1(24),16,18(26),19,21(2 ; 5),22-hexaène-5-carboxamide [French] [ACD/IUPAC Name]
2H-17,19-Etheno-2,5-methanopyrido[2,3-k][1,10,3,6]dioxadiazacycloeicosine-4-carboxamide, N-[(2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]-7-(1,1-dimethylethyl)-3,4,6,7,8,9,11,12, 13,14-decahydro-6,9-dioxo-, (2R,4S,7S)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.638
Molar Refractivity: 186.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.99
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 181 Å2
Polarizability: 73.8±0.5 10-24cm3
Surface Tension: 66.3±5.0 dyne/cm
Molar Volume: 517.8±5.0 cm3

Click to predict properties on the Chemicalize site


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