ChemSpider 2D Image | BMS-694153 | C35H45FN8O3

BMS-694153

  • Molecular FormulaC35H45FN8O3
  • Average mass644.782 Da
  • Monoisotopic mass644.359863 Da
  • ChemSpider ID24688545
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

1050381-35-5 [RN]
1-Piperidinecarboxamide, N-[(1R)-2-[1,4'-bipiperidin]-1'-yl-1-[(7-methyl-1H-indazol-5-yl)methyl]-2-oxoethyl]-4-(8-fluoro-1,4-dihydro-2-oxo-3(2H)-quinazolinyl)- [ACD/Index Name]
BMS-694153
N-[(2R)-1-(1,4'-Bipiperidin-1'-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-2-propanyl]-4-(8-fluor-2-oxo-1,4-dihydro-3(2H)-chinazolinyl)-1-piperidincarboxamid [German] [ACD/IUPAC Name]
N-[(2R)-1-(1,4'-Bipiperidin-1'-yl)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-2-propanyl]-4-(8-fluoro-2-oxo-1,4-dihydro-3(2H)-quinazolinyl)-1-piperidinecarboxamide [ACD/IUPAC Name]
N-[(2R)-1-(1,4'-Bipipéridin-1'-yl)-3-(7-méthyl-1H-indazol-5-yl)-1-oxo-2-propanyl]-4-(8-fluoro-2-oxo-1,4-dihydro-3(2H)-quinazolinyl)-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]

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

69MB5VHL5J [DBID]
UNII:69MB5VHL5J [DBID]
UNII-69MB5VHL5J [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 936.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 136.4±3.0 kJ/mol
Flash Point: 520.2±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 176.4±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 1.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.70
ACD/LogD (pH 7.4): 2.20
ACD/BCF (pH 7.4): 9.93
ACD/KOC (pH 7.4): 53.35
Polar Surface Area: 117 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 62.7±3.0 dyne/cm
Molar Volume: 489.7±3.0 cm3

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