ChemSpider 2D Image | (3R,5S,8S)-8-Cyclohexyl-N-{(2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-7,10-dioxo-2,11-dioxa-6,9,22-triazatetracyclo[14.6.2.1~3,6~.0~19,23~]pentacosa-1(22),16(24),17,19(23),20-pentaene -5-carboxamide | C36H45N5O8S

(3R,5S,8S)-8-Cyclohexyl-N-{(2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-7,10-dioxo-2,11-dioxa-6,9,22-triazatetracyclo[14.6.2.13,6.019,23]pentacosa-1(22),16(24),17,19(23),20-pentaene -5-carboxamide

  • Molecular FormulaC36H45N5O8S
  • Average mass707.836 Da
  • Monoisotopic mass707.298889 Da
  • ChemSpider ID13164308

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(3R,5S,8S)-8-Cyclohexyl-N-{(2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-7,10-dioxo-2,11-dioxa-6,9,22-triazatetracyclo[14.6.2.13,6.019,23]pentacosa-1(22),16(24),17,19(23),20-pentaen- 5-carboxamid [German] [ACD/IUPAC Name]
(3R,5S,8S)-8-Cyclohexyl-N-{(2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-7,10-dioxo-2,11-dioxa-6,9,22-triazatetracyclo[14.6.2.13,6.019,23]pentacosa-1(22),16(24),17,19(23),20-pentaene -5-carboxamide [ACD/IUPAC Name]
(3R,5S,8S)-8-Cyclohexyl-N-{(2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-vinylcyclopropyl}-7,10-dioxo-2,11-dioxa-6,9,22-triazatétracyclo[14.6.2.13,6.019,23]pentacosa-1(22),16(24),17,19(23),20-pentaène -5-carboxamide [French] [ACD/IUPAC Name]
2H-15,17-Etheno-2,5-methanopyrido[2,3-k][1,10,3,6]dioxadiazacyclooctadecine-4-carboxamide, 7-cyclohexyl-N-[(2S)-1-[[(cyclopropylsulfonyl)amino]carbonyl]-2-ethenylcyclopropyl]-3,4,6,7,8,9,11,12,13,14-d ecahydro-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: 1.649
Molar Refractivity: 184.2±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.20
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: 73.0±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 505.8±5.0 cm3

Click to predict properties on the Chemicalize site


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