ChemSpider 2D Image | 2-{2-[(4-Carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridinyl}-5-{[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}benzoic acid | C28H31N5O6

2-{2-[(4-Carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridinyl}-5-{[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}benzoic acid

  • Molecular FormulaC28H31N5O6
  • Average mass533.576 Da
  • Monoisotopic mass533.227417 Da
  • ChemSpider ID4810244

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{2-[(4-Carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridinyl}-5-{[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}benzoesäure [German] [ACD/IUPAC Name]
2-{2-[(4-Carbamimidoylphenyl)carbamoyl]-6-methoxy-3-pyridinyl}-5-{[(2S)-1-hydroxy-3,3-dimethyl-2-butanyl]carbamoyl}benzoic acid [ACD/IUPAC Name]
2-{2-[(4-Carbamimidoylphenyl)carbamoyl]-6-Methoxypyridin-3-Yl}-5-{[(2s)-1-Hydroxy-3,3-Dimethylbutan-2-Yl]carbamoyl}benzoic Acid
Acide 2-{2-[(4-carbamimidoylphényl)carbamoyl]-6-méthoxy-3-pyridinyl}-5-{[(2S)-1-hydroxy-3,3-diméthyl-2-butanyl]carbamoyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[2-[[[4-(aminoiminomethyl)phenyl]amino]carbonyl]-6-methoxy-3-pyridinyl]-5-[[[(1S)-1-(hydroxymethyl)-2,2-dimethylpropyl]amino]carbonyl]- [ACD/Index Name]
1NJ
2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID
ONO
Ono Compound 8

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: 1.631
Molar Refractivity: 142.4±0.5 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.63
ACD/LogD (pH 5.5): -0.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.44
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 188 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 52.8±7.0 dyne/cm
Molar Volume: 399.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement