Found 1 result

Search term: COc1ccc(-c2ccc(cc2C(O)=O)C(=O)N[C@H](C=O)C(C)(C)C)c(n1)C(=O)Nc1ccc(cc1)C(N)N (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 2-(2-{[4-(Diaminomethyl)phenyl]carbamoyl}-6-methoxy-3-pyridinyl)-5-{[(2S)-3,3-dimethyl-1-oxo-2-butanyl]carbamoyl}benzoic acid | C28H31N5O6

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

  • Molecular FormulaC28H31N5O6
  • Average mass533.576 Da
  • Monoisotopic mass533.227417 Da
  • ChemSpider ID4591885

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(2-{[4-(Diaminomethyl)phenyl]carbamoyl}-6-methoxy-3-pyridinyl)-5-{[(2S)-3,3-dimethyl-1-oxo-2-butanyl]carbamoyl}benzoesäure [German] [ACD/IUPAC Name]
2-(2-{[4-(Diaminomethyl)phenyl]carbamoyl}-6-methoxy-3-pyridinyl)-5-{[(2S)-3,3-dimethyl-1-oxo-2-butanyl]carbamoyl}benzoic acid [ACD/IUPAC Name]
2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID
Acide 2-(2-{[4-(diaminométhyl)phényl]carbamoyl}-6-méthoxy-3-pyridinyl)-5-{[(2S)-3,3-diméthyl-1-oxo-2-butanyl]carbamoyl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 2-[2-[[[4-(diaminomethyl)phenyl]amino]carbonyl]-6-methoxy-3-pyridinyl]-5-[[[(1S)-1-formyl-2,2-dimethylpropyl]amino]carbonyl]- [ACD/Index Name]
ONO

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

Density: 1.3±0.1 g/cm3
Boiling Point: 683.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 367.0±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 146.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.33
ACD/LogD (pH 5.5): -1.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 187 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 60.8±3.0 dyne/cm
Molar Volume: 408.4±3.0 cm3

Click to predict properties on the Chemicalize site


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