ChemSpider 2D Image | 2-{[6-({2-[5-(Benzyloxy)-2-methyl-1H-indol-3-yl]ethyl}amino)-6-oxohexyl]carbamoyl}benzoic acid | C32H35N3O5

2-{[6-({2-[5-(Benzyloxy)-2-methyl-1H-indol-3-yl]ethyl}amino)-6-oxohexyl]carbamoyl}benzoic acid

  • Molecular FormulaC32H35N3O5
  • Average mass541.637 Da
  • Monoisotopic mass541.257690 Da
  • ChemSpider ID3166692

More details:

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

2-{[6-({2-[5-(Benzyloxy)-2-methyl-1H-indol-3-yl]ethyl}amino)-6-oxohexyl]carbamoyl}benzoesäure [German] [ACD/IUPAC Name]
2-{[6-({2-[5-(Benzyloxy)-2-methyl-1H-indol-3-yl]ethyl}amino)-6-oxohexyl]carbamoyl}benzoic acid [ACD/IUPAC Name]
Acide 2-{[6-({2-[5-(benzyloxy)-2-méthyl-1H-indol-3-yl]éthyl}amino)-6-oxohexyl]carbamoyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[[6-[[2-[2-methyl-5-(phenylmethoxy)-1H-indol-3-yl]ethyl]amino]-6-oxohexyl]amino]carbonyl]- [ACD/Index Name]
2-{[5-({2-[5-(BENZYLOXY)-2-METHYL-1H-INDOL-3-YL]ETHYL}CARBAMOYL)PENTYL]CARBAMOYL}BENZOIC ACID
2-{N-[5-(N-{2-[2-methyl-5-(phenylmethoxy)indol-3-yl]ethyl}carbamoyl)pentyl]carbamoyl}benzoic acid
N-{5-[2-(5-Benzyloxy-2-methyl-1H-indol-3-yl)-ethylcarbamoyl]-pentyl}-phthalamic acid

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

A2842/0119913 [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: 861.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 131.1±3.0 kJ/mol
Flash Point: 474.6±34.3 °C
Index of Refraction: 1.629
Molar Refractivity: 155.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.90
ACD/LogD (pH 5.5): 2.51
ACD/BCF (pH 5.5): 15.14
ACD/KOC (pH 5.5): 62.83
ACD/LogD (pH 7.4): 1.49
ACD/BCF (pH 7.4): 1.43
ACD/KOC (pH 7.4): 5.95
Polar Surface Area: 121 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 55.7±3.0 dyne/cm
Molar Volume: 437.9±3.0 cm3

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