ChemSpider 2D Image | (S)-azelastine | C22H24ClN3O

(S)-azelastine

  • Molecular FormulaC22H24ClN3O
  • Average mass381.898 Da
  • Monoisotopic mass381.160797 Da
  • ChemSpider ID23935314

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-azelastine
1(2H)-Phthalazinone, 4-[(4-chlorophenyl)methyl]-2-[(4S)-hexahydro-1-methyl-1H-azepin-4-yl]- [ACD/Index Name]
143228-85-7 [RN]
4-(4-Chlorbenzyl)-2-[(4S)-1-methyl-4-azepanyl]-1(2H)-phthalazinon [German] [ACD/IUPAC Name]
4-(4-Chlorobenzyl)-2-[(4S)-1-méthyl-4-azépanyl]-1(2H)-phtalazinone [French] [ACD/IUPAC Name]
4-(4-Chlorobenzyl)-2-[(4S)-1-methyl-4-azepanyl]-1(2H)-phthalazinone [ACD/IUPAC Name]
azelastinum [INN_la]
4-(4-chlorobenzyl)-2-[(4S)-1-methylazepan-4-yl]phthalazin-1(2H)-one
58581-89-8 [RN]
Azelastine [INN] [Wiki]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7Y9YE1DOYQ [DBID]
UNII:7Y9YE1DOYQ [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: 533.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 276.7±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 110.0±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 1.28
ACD/BCF (pH 5.5): 1.03
ACD/KOC (pH 5.5): 4.92
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 13.77
ACD/KOC (pH 7.4): 65.59
Polar Surface Area: 36 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 47.5±7.0 dyne/cm
Molar Volume: 304.6±7.0 cm3

Click to predict properties on the Chemicalize site


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