Found 1 result

Search term: AVBJDAGBNFAPAJ-UHFFFAOYSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | 4-(6-Amino-7-chloro-4-quinazolinyl)-N-benzyl-1-piperazinecarbothioamide | C20H21ClN6S

4-(6-Amino-7-chloro-4-quinazolinyl)-N-benzyl-1-piperazinecarbothioamide

  • Molecular FormulaC20H21ClN6S
  • Average mass412.939 Da
  • Monoisotopic mass412.123688 Da
  • ChemSpider ID23188067

More details:

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

1-Piperazinecarbothioamide, 4-(6-amino-7-chloro-4-quinazolinyl)-N-(phenylmethyl)- [ACD/Index Name]
4-(6-Amino-7-chlor-4-chinazolinyl)-N-benzyl-1-piperazincarbothioamid [German] [ACD/IUPAC Name]
4-(6-Amino-7-chloro-4-quinazolinyl)-N-benzyl-1-piperazinecarbothioamide [ACD/IUPAC Name]
4-(6-Amino-7-chloro-4-quinazolinyl)-N-benzyl-1-pipérazinecarbothioamide [French] [ACD/IUPAC Name]
4-(6-amino-7-chloroquinazolin-4-yl)-N-benzylpiperazine-1-carbimidothioic acid
4-(6-Amino-7-chloro-quinazolin-4-yl)-piperazine-1-carbothioic acid benzylamide
CHEMBL101227

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

Density: 1.4±0.1 g/cm3
Boiling Point: 613.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 324.5±34.3 °C
Index of Refraction: 1.725
Molar Refractivity: 115.4±0.5 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.89
ACD/LogD (pH 5.5): -0.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 290.8±7.0 cm3

Click to predict properties on the Chemicalize site


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