ChemSpider 2D Image | BILA 2185BS | C35H46N4O4S

BILA 2185BS

  • Molecular FormulaC35H46N4O4S
  • Average mass618.829 Da
  • Monoisotopic mass618.323975 Da
  • ChemSpider ID405779

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,4R)-1-[(2R,3S)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-N-(2-methyl-2-propanyl)-4-(4-pyridinylsulfanyl)-2-piperidincarboxamid [German] [ACD/IUPAC Name]
(2S,4R)-1-[(2R,3S)-3-{[(2,6-Dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-N-(2-methyl-2-propanyl)-4-(4-pyridinylsulfanyl)-2-piperidinecarboxamide [ACD/IUPAC Name]
(2S,4R)-1-[(2R,3S)-3-{[2-(2,6-Diméthylphénoxy)acétyl]amino}-2-hydroxy-4-phénylbutyl]-N-(2-méthyl-2-propanyl)-4-(4-pyridinylsulfanyl)-2-pipéridinecarboxamide [French] [ACD/IUPAC Name]
(2S,4R)-N-(1,1-Dimethylethyl)-1-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-(4-pyridinylthio)-2-piperidinecarboxamide
154612-58-5 [RN]
2-Piperidinecarboxamide, N-(1,1-dimethylethyl)-1-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy-4-phenylbutyl]-4-(4-pyridinylthio)-, (2S,4R)- [ACD/Index Name]
BILA 2185BS
(2S,4R)-1-[(2R,3S)-3-[[2-(2,6-dimethylphenoxy)acetyl]amino]-2-hydroxy- 4-phenyl-butyl]-4-pyridin-4-y
(2S,4R)-N-TERT-BUTYL-1-[(2R,3S)-3-[2-(2,6-DIMETHYLPHENOXY)ACETAMIDO]-2-HYDROXY-4-PHENYLBUTYL]-4-(PYRIDIN-4-YLSULFANYL)PIPERIDINE-2-CARBOXAMIDE
(2S,4R)-N-tert-butyl-1-[(2R,3S)-3-{[(2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutyl]-4-(pyridin-4-ylsulfanyl)piperidine-2-carboxamide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS028474 [DBID]
AIDS-028474 [DBID]
C15657 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 858.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.8±3.0 kJ/mol
Flash Point: 473.1±34.3 °C
Index of Refraction: 1.616
Molar Refractivity: 177.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 4.89
ACD/BCF (pH 5.5): 2596.51
ACD/KOC (pH 5.5): 7869.16
ACD/LogD (pH 7.4): 5.20
ACD/BCF (pH 7.4): 5305.69
ACD/KOC (pH 7.4): 16079.79
Polar Surface Area: 129 Å2
Polarizability: 70.5±0.5 10-24cm3
Surface Tension: 58.3±5.0 dyne/cm
Molar Volume: 508.9±5.0 cm3

Click to predict properties on the Chemicalize site


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