ChemSpider 2D Image | (3S)-1-[4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-3-hydroxy-1-butanone | C18H25N5O4

(3S)-1-[4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-3-hydroxy-1-butanone

  • Molecular FormulaC18H25N5O4
  • Average mass375.422 Da
  • Monoisotopic mass375.190643 Da
  • ChemSpider ID34990672

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-[4-(4-Amino-6,7-dimethoxy-2-chinazolinyl)-1-piperazinyl]-3-hydroxy-1-butanon [German] [ACD/IUPAC Name]
(3S)-1-[4-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-3-hydroxy-1-butanone [ACD/IUPAC Name]
(3S)-1-[4-(4-Amino-6,7-diméthoxy-2-quinazolinyl)-1-pipérazinyl]-3-hydroxy-1-butanone [French] [ACD/IUPAC Name]
1-Butanone, 1-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-3-hydroxy-, (3S)- [ACD/Index Name]
109713-79-3 [RN]
Neldazosin [INN] [Wiki]
UNII-G3E7RO42MB

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

Density: 1.3±0.1 g/cm3
Boiling Point: 659.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 102.0±3.0 kJ/mol
Flash Point: 352.8±34.3 °C
Index of Refraction: 1.630
Molar Refractivity: 101.6±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: -0.92
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.22
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 35.72
Polar Surface Area: 114 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 64.1±3.0 dyne/cm
Molar Volume: 285.8±3.0 cm3

Click to predict properties on the Chemicalize site


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