ChemSpider 2D Image | 9-Chloro-2-({5-[3-(dimethylamino)propyl]-2-methyl-3-pyridinyl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thione | C23H25ClN6S

9-Chloro-2-({5-[3-(dimethylamino)propyl]-2-methyl-3-pyridinyl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thione

  • Molecular FormulaC23H25ClN6S
  • Average mass453.003 Da
  • Monoisotopic mass452.154999 Da
  • ChemSpider ID26325558

More details:

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

6H-Pyrimido[5,4-d][1]benzazepine-6-thione, 9-chloro-2-[[5-[3-(dimethylamino)propyl]-2-methyl-3-pyridinyl]amino]-5,7-dihydro- [ACD/Index Name]
9-Chlor-2-({5-[3-(dimethylamino)propyl]-2-methyl-3-pyridinyl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepin-6-thion [German] [ACD/IUPAC Name]
9-Chloro-2-({5-[3-(dimethylamino)propyl]-2-methyl-3-pyridinyl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thione [ACD/IUPAC Name]
9-Chloro-2-({5-[3-(diméthylamino)propyl]-2-méthyl-3-pyridinyl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazépine-6-thione [French] [ACD/IUPAC Name]
9-Chloro-2-({5-[3-(Dimethylamino)propyl]-2-Methylpyridin-3-Yl}amino)-5,7-Dihydro-6h-Pyrimido[5,4-D][1]benzazepine-6-Thione
1228960-69-7 [RN]
3TA
MLN-0905

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 646.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.3±3.0 kJ/mol
Flash Point: 344.7±34.3 °C
Index of Refraction: 1.687
Molar Refractivity: 127.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 1.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.30
ACD/LogD (pH 7.4): 2.15
ACD/BCF (pH 7.4): 7.41
ACD/KOC (pH 7.4): 34.35
Polar Surface Area: 98 Å2
Polarizability: 50.6±0.5 10-24cm3
Surface Tension: 75.3±5.0 dyne/cm
Molar Volume: 335.0±5.0 cm3

Click to predict properties on the Chemicalize site


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