ChemSpider 2D Image | ATC-0175 FREE BASE | C23H25F2N5O

ATC-0175 FREE BASE

  • Molecular FormulaC23H25F2N5O
  • Average mass425.474 Da
  • Monoisotopic mass425.202728 Da
  • ChemSpider ID21489963

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

509118-03-0 [RN]
ATC-0175 FREE BASE
Benzamide, N-[cis-4-[[4-(dimethylamino)-2-quinazolinyl]amino]cyclohexyl]-3,4-difluoro- [ACD/Index Name]
N-(cis-4-{[4-(Dimethylamino)-2-chinazolinyl]amino}cyclohexyl)-3,4-difluorbenzamid [German] [ACD/IUPAC Name]
N-(cis-4-{[4-(Dimethylamino)-2-quinazolinyl]amino}cyclohexyl)-3,4-difluorobenzamide [ACD/IUPAC Name]
N-(cis-4-{[4-(Diméthylamino)-2-quinazolinyl]amino}cyclohexyl)-3,4-difluorobenzamide [French] [ACD/IUPAC Name]
N-(cis-4-{[4-(dimethylamino)quinazolin-2-yl]amino}cyclohexyl)-3,4-difluorobenzamide
ATC 0175
ATC 0175|ATC-0175
ATC0175
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

539503G9M0 [DBID]
UNII:539503G9M0 [DBID]
UNII-539503G9M0 [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 115.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 3.05
ACD/KOC (pH 5.5): 16.27
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 55.58
ACD/KOC (pH 7.4): 296.18
Polar Surface Area: 70 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 58.9±5.0 dyne/cm
Molar Volume: 325.5±5.0 cm3

Click to predict properties on the Chemicalize site


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