ChemSpider 2D Image | BMS-193885 | C33H42N4O6

BMS-193885

  • Molecular FormulaC33H42N4O6
  • Average mass590.710 Da
  • Monoisotopic mass590.310425 Da
  • ChemSpider ID8135771

More details:

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

1,4-dihydro-4-[3-[[[[3-[4-(3-methoxyphenyl)-1-piperidinyl]propyl]amino]carbonyl]amino]phenyl]-2,6-dimethyl-3,5-dimethyl ester-3,5-pyridinedicarboxylic acid
186185-03-5 [RN]
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-[3-[[[[3-[4-(3-methoxyphenyl)-1-piperidinyl]propyl]amino]carbonyl]amino]phenyl]-2,6-dimethyl-, dimethyl ester [ACD/Index Name]
4-{3-[({3-[4-(3-Méthoxyphényl)-1-pipéridinyl]propyl}carbamoyl)amino]phényl}-2,6-diméthyl-1,4-dihydro-3,5-pyridinedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
BMS-193885
Dimethyl 4-{3-[({3-[4-(3-methoxyphenyl)-1-piperidinyl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Dimethyl-4-{3-[({3-[4-(3-methoxyphenyl)-1-piperidinyl]propyl}carbamoyl)amino]phenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
MFCD16878998
1,4-Dihydro-4-[3-[[[[3-[4-(3-methoxyphenyl)-1-piperidinyl]propyl]amino]carbonyl]amino]phenyl]-2,6-dimethyl-3,5-pyridinedicarboxylicacid3,5-dimethylesterL-Lactate
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(3-((((3-(4-(3-methoxyphenyl)-1-piperidinyl)propyl)amino)carbonyl)amino)phenyl)-2,6-dimethyl-, 3,5-dimethyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

819SRG2Y6N [DBID]
UNII:819SRG2Y6N [DBID]
UNII-819SRG2Y6N [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: 707.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 381.7±32.9 °C
Index of Refraction: 1.575
Molar Refractivity: 164.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 2.26
ACD/KOC (pH 5.5): 9.05
ACD/LogD (pH 7.4): 3.07
ACD/BCF (pH 7.4): 53.01
ACD/KOC (pH 7.4): 212.18
Polar Surface Area: 118 Å2
Polarizability: 65.1±0.5 10-24cm3
Surface Tension: 46.8±3.0 dyne/cm
Molar Volume: 497.1±3.0 cm3

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