ChemSpider 2D Image | CAROTEGRAST METHYL | C28H26Cl2N4O5

CAROTEGRAST METHYL

  • Molecular FormulaC28H26Cl2N4O5
  • Average mass569.436 Da
  • Monoisotopic mass568.128052 Da
  • ChemSpider ID8048469

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

401905-67-7 [RN]
CAROTEGRAST METHYL
L-Phenylalanine, N-(2,6-dichlorobenzoyl)-4-[6-(dimethylamino)-1,4-dihydro-1-methyl-2,4-dioxo-3(2H)-quinazolinyl]-, methyl ester [ACD/Index Name]
methyl (2S)-2-[(2,6-dichlorophenyl)formamido]-3-{4-[6-(dimethylamino)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]phenyl}propanoate
Methyl N-(2,6-dichlorobenzoyl)-4-[6-(dimethylamino)-1-methyl-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-L-phenylalaninate [ACD/IUPAC Name]
Methyl-N-(2,6-dichlorbenzoyl)-4-[6-(dimethylamino)-1-methyl-2,4-dioxo-1,4-dihydro-3(2H)-chinazolinyl]-L-phenylalaninat [German] [ACD/IUPAC Name]
N-(2,6-Dichlorobenzoyl)-4-[6-(diméthylamino)-1-méthyl-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl]-L-phénylalaninate de méthyle [French] [ACD/IUPAC Name]
(2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(6-dimethylamino-2,4-diketo-1-methyl-quinazolin-3-yl)phenyl]propionic acid methyl ester
(2S)-2-[[(2,6-dichlorophenyl)-oxomethyl]amino]-3-[4-(6-dimethylamino-1-methyl-2,4-dioxo-3-quinazolinyl)phenyl]propanoic acid methyl ester
methyl (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(6-dimethylamino-1-methyl-2,4-dioxoquinazolin-3-yl)phenyl]propanoate
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

OYK17DYO9M [DBID]
UNII:OYK17DYO9M [DBID]
UNII-OYK17DYO9M [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.639
Molar Refractivity: 148.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 2.91
ACD/LogD (pH 5.5): 4.40
ACD/BCF (pH 5.5): 1275.97
ACD/KOC (pH 5.5): 5664.72
ACD/LogD (pH 7.4): 4.44
ACD/BCF (pH 7.4): 1399.65
ACD/KOC (pH 7.4): 6213.78
Polar Surface Area: 99 Å2
Polarizability: 58.8±0.5 10-24cm3
Surface Tension: 58.2±3.0 dyne/cm
Molar Volume: 411.9±3.0 cm3

Click to predict properties on the Chemicalize site


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