ChemSpider 2D Image | (S)-alizapride | C16H21N5O2

(S)-alizapride

  • Molecular FormulaC16H21N5O2
  • Average mass315.370 Da
  • Monoisotopic mass315.169525 Da
  • ChemSpider ID32798722

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-alizapride
1H-1,2,3-Benzotriazole-5-carboxamide, 6-methoxy-N-[[(2S)-1-(2-propen-1-yl)-2-pyrrolidinyl]methyl]- [ACD/Index Name]
N-{[(2S)-1-Allyl-2-pyrrolidinyl]methyl}-5-methoxy-1H-benzotriazol-6-carboxamid [German] [ACD/IUPAC Name]
N-{[(2S)-1-Allyl-2-pyrrolidinyl]methyl}-5-methoxy-1H-benzotriazole-6-carboxamide [ACD/IUPAC Name]
N-{[(2S)-1-Allyl-2-pyrrolidinyl]méthyl}-5-méthoxy-1H-benzotriazole-6-carboxamide [French] [ACD/IUPAC Name]
261-710-6 [EINECS]
59338-93-1 [RN]
Alizapride [INN] [Wiki]
ALIZAPRIDE, (S)-
UNII-P55703ZRZY

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

T0VI8MV4HG [DBID]
UNII:T0VI8MV4HG [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 580.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.8±3.0 kJ/mol
Flash Point: 304.8±27.3 °C
Index of Refraction: 1.605
Molar Refractivity: 88.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): -1.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.38
Polar Surface Area: 83 Å2
Polarizability: 35.2±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 257.6±3.0 cm3

Click to predict properties on the Chemicalize site


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