ChemSpider 2D Image | Vedroprevir | C45H60ClN7O9S

Vedroprevir

  • Molecular FormulaC45H60ClN7O9S
  • Average mass910.517 Da
  • Monoisotopic mass909.386169 Da
  • ChemSpider ID28503767

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

1098189-15-1 [RN]
Cyclopropanecarboxylic acid, N-[[(1α,3β,5α)-bicyclo[3.1.0]hex-3-yloxy]carbonyl]-3-methyl-L-valyl-(4R)-4-[[8-chloro-2-[2-[(1-methylethyl)amino]-4-thiazolyl]-7-[2-(4-morpholinyl)ethoxy]-4-quinolinyl]oxy]-L-prolyl-1-amino-2-ethyl-, (1R,2R)-
GS-9451
KGD958X2B9
L-Prolinamide, N-[[(1R,5S)-bicyclo[3.1.0]hex-3-yloxy]carbonyl]-3-methyl-L-valyl-N-[(1R,2R)-1-carboxy-2-ethylcyclopropyl]-4-[[8-chloro-2-[2-[(1-methylethyl)amino]-4-thiazolyl]-7-[2-(4-morpholinyl)ethox y]-4-quinolinyl]oxy]-, (4R)- [ACD/Index Name]
N-{[(1R,3r,5S)-bicyclo[3.1.0]hex-3-yloxy]carbonyl}-3-methyl-L-valyl-(4R)-4-[(8-chloro-2-{2-[(1-methylethyl)amino]thiazol-4-yl}-7-[2-(morpholin-4-yl)ethoxy]quinolin-4-yl)oxy]-L-prolyl-(1R,2R)-1-amino-2-ethylcyclopropanecarboxylic acid
N-{[(1R,3r,5S)-Bicyclo[3.1.0]hex-3-yloxy]carbonyl}-3-methyl-L-valyl-(4R)-N-[(1R,2R)-1-carboxy-2-ethylcyclopropyl]-4-({8-chlor-2-[2-(isopropylamino)-1,3-thiazol-4-yl]-7-[2-(4-morpholinyl)ethoxy]-4-chin olinyl}oxy)-L-prolinamid [German] [ACD/IUPAC Name]
N-{[(1R,3r,5S)-Bicyclo[3.1.0]hex-3-yloxy]carbonyl}-3-méthyl-L-valyl-(4R)-N-[(1R,2R)-1-carboxy-2-éthylcyclopropyl]-4-({8-chloro-2-[2-(isopropylamino)-1,3-thiazol-4-yl]-7-[2-(4-morpholinyl)éthoxy]-4-qui noléinyl}oxy)-L-prolinamide [French] [ACD/IUPAC Name]
N-{[(1R,3r,5S)-Bicyclo[3.1.0]hex-3-yloxy]carbonyl}-3-methyl-L-valyl-(4R)-N-[(1R,2R)-1-carboxy-2-ethylcyclopropyl]-4-({8-chloro-2-[2-(isopropylamino)-1,3-thiazol-4-yl]-7-[2-(4-morpholinyl)ethoxy]-4-qui nolinyl}oxy)-L-prolinamide [ACD/IUPAC Name]
Vedroprevir [INN] [USAN]
More...

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

9745 [DBID]

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: 1.645
Molar Refractivity: 237.7±0.4 cm3
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 3.56
ACD/BCF (pH 5.5): 159.36
ACD/KOC (pH 5.5): 629.15
ACD/LogD (pH 7.4): 2.38
ACD/BCF (pH 7.4): 10.67
ACD/KOC (pH 7.4): 42.12
Polar Surface Area: 222 Å2
Polarizability: 94.2±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 655.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement