ChemSpider 2D Image | 2-Methyl-2-propanyl 6-[(4-chlorobenzyl)carbamoyl]-9-(4-morpholinylmethyl)-7-oxo-1'H,7H-spiro[1,4-oxazino[2,3,4-ij]quinoline-2,4'-piperidine]-1'-carboxylate | C33H39ClN4O6

2-Methyl-2-propanyl 6-[(4-chlorobenzyl)carbamoyl]-9-(4-morpholinylmethyl)-7-oxo-1'H,7H-spiro[1,4-oxazino[2,3,4-ij]quinoline-2,4'-piperidine]-1'-carboxylate

  • Molecular FormulaC33H39ClN4O6
  • Average mass623.139 Da
  • Monoisotopic mass622.255798 Da
  • ChemSpider ID430274

More details:

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

2-Methyl-2-propanyl 6-[(4-chlorobenzyl)carbamoyl]-9-(4-morpholinylmethyl)-7-oxo-1'H,7H-spiro[1,4-oxazino[2,3,4-ij]quinoline-2,4'-piperidine]-1'-carboxylate [ACD/IUPAC Name]
Spiro[7H-1,4-oxazino[2,3,4-ij]quinoline-2(3H),4'-piperidine]-1'-carboxylic acid, 6-[[[(4-chlorophenyl)methyl]amino]carbonyl]-9-(4-morpholinylmethyl)-7-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
1,1-Dimethylethyl 6-[[[(4-chlorophenyl)methyl]amino]carbonyl]-9'-(4-morpholinylmethyl)-7'-oxospiro[piperidine-4,2'(3'H)-[7H]pyrido[1,2,3-det][1,4]benzoxazine]-1-carboxylate

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

AIDS115473 [DBID]
AIDS-115473 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 791.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 115.1±3.0 kJ/mol
Flash Point: 432.6±32.9 °C
Index of Refraction: 1.652
Molar Refractivity: 165.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.45
ACD/BCF (pH 5.5): 28.98
ACD/KOC (pH 5.5): 245.95
ACD/LogD (pH 7.4): 3.12
ACD/BCF (pH 7.4): 136.50
ACD/KOC (pH 7.4): 1158.54
Polar Surface Area: 101 Å2
Polarizability: 65.8±0.5 10-24cm3
Surface Tension: 65.9±5.0 dyne/cm
Molar Volume: 453.8±5.0 cm3

Click to predict properties on the Chemicalize site


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