ChemSpider 2D Image | (S)-draflazine | C30H33Cl2F2N5O2

(S)-draflazine

  • Molecular FormulaC30H33Cl2F2N5O2
  • Average mass604.518 Da
  • Monoisotopic mass603.197937 Da
  • ChemSpider ID8049269
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(2S)-1-{2-[(4-Amino-2,6-dichlorophenyl)amino]-2-oxoethyl}-4-[5,5-bis(4-fluorophenyl)pentyl]-2-piperazinecarboxamide [ACD/IUPAC Name]
(2S)-1-{2-[(4-Amino-2,6-dichlorophényl)amino]-2-oxoéthyl}-4-[5,5-bis(4-fluorophényl)pentyl]-2-pipérazinecarboxamide [French] [ACD/IUPAC Name]
(2S)-1-{2-[(4-Amino-2,6-dichlorphenyl)amino]-2-oxoethyl}-4-[5,5-bis(4-fluorphenyl)pentyl]-2-piperazincarboxamid [German] [ACD/IUPAC Name]
(S)-draflazine
138681-29-5 [RN]
1-Piperazineacetamide, 2-(aminocarbonyl)-N-(4-amino-2,6-dichlorophenyl)-4-[5,5-bis(4-fluorophenyl)pentyl]-, (2S)- [ACD/Index Name]
120770-34-5 [RN]
draflazine
DRAFLAZINE, (S)-
UNII-0Y25DT968Y

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

0EUB44LCL9 [DBID]
UNII:0EUB44LCL9 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 755.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.1±3.0 kJ/mol
Flash Point: 411.0±32.9 °C
Index of Refraction: 1.618
Molar Refractivity: 158.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 4.96
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 254.97
ACD/KOC (pH 5.5): 1027.81
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1814.35
ACD/KOC (pH 7.4): 7313.87
Polar Surface Area: 105 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 56.1±3.0 dyne/cm
Molar Volume: 451.8±3.0 cm3

Click to predict properties on the Chemicalize site






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