ChemSpider 2D Image | BMS-593214 | C31H27N3O4

BMS-593214

  • Molecular FormulaC31H27N3O4
  • Average mass505.564 Da
  • Monoisotopic mass505.200165 Da
  • ChemSpider ID30817888
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

[1,1'-Biphenyl]-4-carboxylic acid, 2'-[(6R,6aR,11bR)-2-(aminoiminomethyl)-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxy- [ACD/Index Name]
1004551-40-9 [RN]
2'-[(6R,6aR,11bR)-2-Carbamimidoyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]chinolin-6-yl]-5'-hydroxy-4'-methoxy-4-biphenylcarbonsäure [German] [ACD/IUPAC Name]
2'-[(6R,6aR,11bR)-2-Carbamimidoyl-6,6a,7,11b-tetrahydro-5H-indeno[2,1-c]quinolin-6-yl]-5'-hydroxy-4'-methoxy-4-biphenylcarboxylic acid [ACD/IUPAC Name]
Acide 2'-[(6R,6aR,11bR)-2-carbamimidoyl-6,6a,7,11b-tétrahydro-5H-indéno[2,1-c]quinoléin-6-yl]-5'-hydroxy-4'-méthoxy-4-biphénylcarboxylique [French] [ACD/IUPAC Name]
BMS-593214
XD269G3O31
10.1016/j.bmcl.2013.02.013
1GE
2'-[(6r,6ar,11br)-2-Carbamimidoyl-6,6a,7,11b-Tetrahydro-5h-Indeno[2,1-C]quinolin-6-Yl]-5'-Hydroxy-4'-Methoxybiphenyl-4-Carboxylic Acid
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 734.2±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.5±3.0 kJ/mol
Flash Point: 397.8±35.7 °C
Index of Refraction: 1.722
Molar Refractivity: 140.8±0.5 cm3
#H bond acceptors: 7
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 8.27
ACD/KOC (pH 5.5): 31.58
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 7.51
ACD/KOC (pH 7.4): 28.66
Polar Surface Area: 129 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 59.0±7.0 dyne/cm
Molar Volume: 355.6±7.0 cm3

Click to predict properties on the Chemicalize site






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