ChemSpider 2D Image | (1R,11Z,21S,24S)-N-{(1R,2R)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-16,16-dimethyl-21-(2-methyl-2-propanyl)-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.1~4,7~.0~6,11~]hept acosa-5,7,9,11-tetraene-24-carboxamide | C38H53N5O9S

(1R,11Z,21S,24S)-N-{(1R,2R)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-16,16-dimethyl-21-(2-methyl-2-propanyl)-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]hept acosa-5,7,9,11-tetraene-24-carboxamide

  • Molecular FormulaC38H53N5O9S
  • Average mass755.920 Da
  • Monoisotopic mass755.356384 Da
  • ChemSpider ID61713121

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,11Z,21S,24S)-N-{(1R,2R)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-16,16-dimethyl-21-(2-methyl-2-propanyl)-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]hept acosa-5,7,9,11-tetraen-24-carboxamid [German] [ACD/IUPAC Name]
(1R,11Z,21S,24S)-N-{(1R,2R)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-ethylcyclopropyl}-16,16-dimethyl-21-(2-methyl-2-propanyl)-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatetracyclo[21.2.1.14,7.06,11]hept acosa-5,7,9,11-tetraene-24-carboxamide [ACD/IUPAC Name]
(1R,11Z,21S,24S)-N-{(1R,2R)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-éthylcyclopropyl}-16,16-diméthyl-21-(2-méthyl-2-propanyl)-3,19,22-trioxo-2,18-dioxa-4,20,23-triazatétracyclo[21.2.1.14,7.06,11]hept acosa-5,7,9,11-tétraène-24-carboxamide [French] [ACD/IUPAC Name]
5H,14H-2,23:5,8-Dimethano-3H-4,13,2,8,11-benzodioxatriazacycloheneicosine-7-carboxamide, N-[(1R,2R)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethylcyclopropyl]-10-(1,1-dimethylethyl)-6,7,9,10,11,12,1 5,16,17,18-decahydro-15,15-dimethyl-3,9,12-trioxo-, (5R,7S,10S,19Z)- [ACD/Index Name]
(5r,7s,10s)-10-Tert-Butyl-N-{(1r,2r)-1-[(Cyclopropylsulfonyl)carbamoyl]-2-Ethylcyclopropyl}-15,15-Dimethyl-3,9,12-Trioxo-6,7,9,10,11,12,14,15,16,17,18,19-Dodecahydro-1h,5h-2,23:5,8-Dimethano-4,13,2,8,11-Benzodioxatriazacyclohenicosine-7(3h)-Carboxamide
SU3

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.617
Molar Refractivity: 196.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.21
ACD/LogD (pH 5.5): 1.91
ACD/BCF (pH 5.5): 10.36
ACD/KOC (pH 5.5): 105.90
ACD/LogD (pH 7.4): 0.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.04
Polar Surface Area: 189 Å2
Polarizability: 77.8±0.5 10-24cm3
Surface Tension: 62.4±5.0 dyne/cm
Molar Volume: 561.1±5.0 cm3

Click to predict properties on the Chemicalize site


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