ChemSpider 2D Image | TMC-310911 | C38H53N5O7S2

TMC-310911

  • Molecular FormulaC38H53N5O7S2
  • Average mass755.987 Da
  • Monoisotopic mass755.338623 Da
  • ChemSpider ID34554561
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({2-[(1-cyclopentyl-4-piperidinyl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl-{(2S,3R)-4-[({2-[(1-cyclopentyl-4-piperidinyl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(isobutyl)amino]-3-hydroxy-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
{(2S,3R)-4-[({2-[(1-Cyclopentyl-4-pipéridinyl)amino]-1,3-benzothiazol-6-yl}sulfonyl)(isobutyl)amino]-3-hydroxy-1-phényl-2-butanyl}carbamate de (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yle [French] [ACD/IUPAC Name]
1000287-05-7 [RN]
Carbamic acid, N-[(1S,2R)-3-[[[2-[(1-cyclopentyl-4-piperidinyl)amino]-6-benzothiazolyl]sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl e ster [ACD/Index Name]
TMC-310911
(3r,3as,6ar)-Hexahydrofuro[2,3-B]furan-3-Yl {(2s,3r)-4-[({2-[(1-Cyclopentylpiperidin-4-Yl)amino]-1,3-Benzothiazol-6-Yl}sulfonyl)(2-Methylpropyl)amino]-3-Hydroxy-1-Phenylbutan-2-Yl}carbamate
74T

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

0151W500HP [DBID]
UNII:0151W500HP [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.648
Molar Refractivity: 203.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 12.61
ACD/KOC (pH 5.5): 29.61
ACD/LogD (pH 7.4): 3.86
ACD/BCF (pH 7.4): 179.41
ACD/KOC (pH 7.4): 421.44
Polar Surface Area: 179 Å2
Polarizability: 80.5±0.5 10-24cm3
Surface Tension: 67.6±5.0 dyne/cm
Molar Volume: 558.2±5.0 cm3

Click to predict properties on the Chemicalize site






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