ChemSpider 2D Image | DA-3934 | C35H35N5O7

DA-3934

  • Molecular FormulaC35H35N5O7
  • Average mass637.682 Da
  • Monoisotopic mass637.253662 Da
  • ChemSpider ID32699942

More details:

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

[3-({[2-(Methyl{[(2-{2-[methyl(phenyl)amino]-2-oxoethoxy}phenyl)(phenyl)amino]acetyl}amino)-2-oxoethyl]carbamoyl}amino)phenyl]acetic acid [ACD/IUPAC Name]
[3-({[2-(Methyl{[(2-{2-[methyl(phenyl)amino]-2-oxoethoxy}phenyl)(phenyl)amino]acetyl}amino)-2-oxoethyl]carbamoyl}amino)phenyl]essigsäure [German] [ACD/IUPAC Name]
183176-50-3 [RN]
Acide [3-({[2-(méthyl{2-[(2-{2-[méthyl(phényl)amino]-2-oxoéthoxy}phényl)(phényl)amino]acétyl}amino)-2-oxoéthyl]carbamoyl}amino)phényl]acétique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 3-[[[[2-[methyl[2-[[2-[2-(methylphenylamino)-2-oxoethoxy]phenyl]phenylamino]acetyl]amino]-2-oxoethyl]amino]carbonyl]amino]- [ACD/Index Name]
DA-3934
J353803KRG
(3-{[(2-{N-METHYL-2-[(2-{[METHYL(PHENYL)CARBAMOYL]METHOXY}PHENYL)(PHENYL)AMINO]ACETAMIDO}-2-OXOETHYL)CARBAMOYL]AMINO}PHENYL)ACETIC ACID
UNII:J353803KRG
UNII-J353803KRG

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

Density: 1.3±0.1 g/cm3
Boiling Point: 827.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.1±3.0 kJ/mol
Flash Point: 454.5±34.3 °C
Index of Refraction: 1.665
Molar Refractivity: 176.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 12.94
ACD/KOC (pH 5.5): 94.12
ACD/LogD (pH 7.4): 0.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.56
Polar Surface Area: 149 Å2
Polarizability: 69.9±0.5 10-24cm3
Surface Tension: 63.8±3.0 dyne/cm
Molar Volume: 475.3±3.0 cm3

Click to predict properties on the Chemicalize site


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