ChemSpider 2D Image | 2-{[4-(2-Acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-yl]-oxalyl-amino}-benzoic acid | C29H31N3O7

2-{[4-(2-Acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-yl]-oxalyl-amino}-benzoic acid

  • Molecular FormulaC29H31N3O7
  • Average mass533.572 Da
  • Monoisotopic mass533.216187 Da
  • ChemSpider ID394510

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-[{4-[(2S)-2-Acetamido-3-oxo-3-(pentylamino)propyl]-1-naphthyl}(carboxycarbonyl)amino]benzoesäure [German] [ACD/IUPAC Name]
2-[{4-[(2S)-2-Acetamido-3-oxo-3-(pentylamino)propyl]-1-naphthyl}(carboxycarbonyl)amino]benzoic acid [ACD/IUPAC Name]
2-{[4-(2-Acetylamino-2-pentylcarbamoyl-ethyl)-naphthalen-1-yl]-oxalyl-amino}-benzoic acid
Acide 2-[{4-[(2S)-2-acétamido-3-oxo-3-(pentylamino)propyl]-1-naphtyl}(carboxycarbonyl)amino]benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[4-[(2S)-2-(acetylamino)-3-oxo-3-(pentylamino)propyl]-1-naphthalenyl](carboxycarbonyl)amino]- [ACD/Index Name]
6((S)-3-BENZYLPIPERAZIN-1-YL)-3-(NAPHTHALEN-2-YL)-4-(PYRIDIN-4-YL)PYRAZINE
6NP
COMPOUND 12, N-ACETYL-4-[(CARBOXYCARBONYL)(2-CARBOXYPHENYL)AMINO]-N-PENTYL-1-NAPTHYLALANIAMIDE

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

989 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.634
Molar Refractivity: 145.2±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.49
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 153 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 61.0±3.0 dyne/cm
Molar Volume: 406.0±3.0 cm3

Click to predict properties on the Chemicalize site


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