ChemSpider 2D Image | 4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-ethoxy-6-nitrophenyl 2-thiophenecarboxylate | C25H23N3O7S

4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-ethoxy-6-nitrophenyl 2-thiophenecarboxylate

  • Molecular FormulaC25H23N3O7S
  • Average mass509.531 Da
  • Monoisotopic mass509.125671 Da
  • ChemSpider ID2577309

More details:

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

2-Thiophènecarboxylate de 4-(2-amino-3-cyano-7,7-diméthyl-5-oxo-5,6,7,8-tétrahydro-4H-chromén-4-yl)-2-éthoxy-6-nitrophényle [French] [ACD/IUPAC Name]
2-Thiophenecarboxylic acid, 4-(2-amino-3-cyano-5,6,7,8-tetrahydro-7,7-dimethyl-5-oxo-4H-1-benzopyran-4-yl)-2-ethoxy-6-nitrophenyl ester [ACD/Index Name]
4-(2-Amino-3-cyan-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-ethoxy-6-nitrophenyl-2-thiophencarboxylat [German] [ACD/IUPAC Name]
4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-ethoxy-6-nitrophenyl 2-thiophenecarboxylate [ACD/IUPAC Name]
4-(2-amino-3-cyano-7,7-dimethyl-5-oxo(4H-6,7,8-trihydrochromen-4-yl))-6-ethoxy-2-nitrophenyl thiophene-2-carboxylate
4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate
Thiophene-2-carboxylic acid 4-(2-amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-ethoxy-6-nitro-phenyl ester

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

A2560/0109076 [DBID]
ChemDiv1_018236 [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: 800.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 116.4±3.0 kJ/mol
Flash Point: 438.0±34.3 °C
Index of Refraction: 1.651
Molar Refractivity: 128.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 4.02
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 481.33
ACD/KOC (pH 5.5): 2892.29
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 483.07
ACD/KOC (pH 7.4): 2902.78
Polar Surface Area: 186 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 70.4±5.0 dyne/cm
Molar Volume: 353.2±5.0 cm3

Click to predict properties on the Chemicalize site


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