ChemSpider 2D Image | (S)-azelnidipine | C33H34N4O6

(S)-azelnidipine

  • Molecular FormulaC33H34N4O6
  • Average mass582.646 Da
  • Monoisotopic mass582.247864 Da
  • ChemSpider ID34993117

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-2-Amino-6-méthyl-4-(3-nitrophényl)-1,4-dihydro-3,5-pyridinedicarboxylate de 3-[1-(diphénylméthyl)-3-azétidinyle] et de 5-isopropyle [French] [ACD/IUPAC Name]
(S)-azelnidipine
3,5-Pyridinedicarboxylic acid, 2-amino-1,4-dihydro-6-methyl-4-(3-nitrophenyl)-, 3-[1-(diphenylmethyl)-3-azetidinyl] 5-(1-methylethyl) ester, (4S)- [ACD/Index Name]
3-[1-(Diphenylmethyl)-3-azetidinyl] 5-isopropyl (4S)-2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
3-[1-(Diphenylmethyl)-3-azetidinyl]-5-isopropyl-(4S)-2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridindicarboxylat [German] [ACD/IUPAC Name]
722455-09-6 [RN]
(4R)-2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-[1-[di(phenyl)methyl]-3-azetidinyl] O5-isopropyl ester
(4R)-2-amino-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid O3-[1-[di(phenyl)methyl]azetidin-3-yl] O5-isopropyl ester
123524-52-7 [RN]
Azelnidipine [INN] [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

368RN01P1M [DBID]
UNII:368RN01P1M [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 709.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 382.8±32.9 °C
Index of Refraction: 1.659
Molar Refractivity: 161.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 631.01
ACD/KOC (pH 5.5): 2246.94
ACD/LogD (pH 7.4): 4.87
ACD/BCF (pH 7.4): 2933.84
ACD/KOC (pH 7.4): 10446.97
Polar Surface Area: 140 Å2
Polarizability: 63.9±0.5 10-24cm3
Surface Tension: 64.1±5.0 dyne/cm
Molar Volume: 437.5±5.0 cm3

Click to predict properties on the Chemicalize site


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