ChemSpider 2D Image | 2-(5-{[1-({[4-(3-Chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl}amino)-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid | C30H31ClN4O7S

2-(5-{[1-({[4-(3-Chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl}amino)-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid

  • Molecular FormulaC30H31ClN4O7S
  • Average mass627.108 Da
  • Monoisotopic mass626.160217 Da
  • ChemSpider ID121045445

More details:

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

2-(5-{[1-({[4-(3-Chlor-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl}amino)-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentansäure [German] [ACD/IUPAC Name]
2-(5-{[1-({[4-(3-Chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl}amino)-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-methylpentanoic acid [ACD/IUPAC Name]
2H-Isoindole-2-acetic acid, 5-[[[2-[[[4-(3-chloro-4-methoxyphenyl)-2-methyl-5-thiazolyl]methyl]amino]-1-methyl-2-oxoethyl]amino]carbonyl]-1,3-dihydro-α-(2-methylpropyl)-1,3-dioxo- [ACD/Index Name]
Acide 2-(5-{[1-({[4-(3-chloro-4-méthoxyphényl)-2-méthyl-1,3-thiazol-5-yl]méthyl}amino)-1-oxo-2-propanyl]carbamoyl}-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-méthylpentanoïque [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 879.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.0±3.0 kJ/mol
Flash Point: 485.9±34.3 °C
Index of Refraction: 1.619
Molar Refractivity: 160.0±0.3 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.99
ACD/LogD (pH 5.5): 1.38
ACD/BCF (pH 5.5): 2.19
ACD/KOC (pH 5.5): 16.70
ACD/LogD (pH 7.4): -0.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 183 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 60.3±3.0 dyne/cm
Molar Volume: 456.3±3.0 cm3

Click to predict properties on the Chemicalize site


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