ChemSpider 2D Image | (2Z)-2-[(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxy-2H-chromene-3-carboxamide | C19H17N3O4S

(2Z)-2-[(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxy-2H-chromene-3-carboxamide

  • Molecular FormulaC19H17N3O4S
  • Average mass383.421 Da
  • Monoisotopic mass383.093964 Da
  • ChemSpider ID21538902

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-2-[(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxy-2H-chromen-3-carboxamid [German] [ACD/IUPAC Name]
(2Z)-2-[(3-Carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-7-hydroxy-2H-chromene-3-carboxamide [ACD/IUPAC Name]
(2Z)-2-[(3-Carbamoyl-4,5,6,7-tétrahydro-1-benzothiophén-2-yl)imino]-7-hydroxy-2H-chromène-3-carboxamide [French] [ACD/IUPAC Name]
2H-1-Benzopyran-3-carboxamide, 2-[[3-(aminocarbonyl)-4,5,6,7-tetrahydrobenzo[b]thien-2-yl]imino]-7-hydroxy-, (2Z)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 692.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.0±3.0 kJ/mol
Flash Point: 372.3±34.3 °C
Index of Refraction: 1.778
Molar Refractivity: 98.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 2.34
ACD/BCF (pH 5.5): 35.35
ACD/KOC (pH 5.5): 446.41
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 31.80
ACD/KOC (pH 7.4): 401.63
Polar Surface Area: 156 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 73.2±7.0 dyne/cm
Molar Volume: 235.4±7.0 cm3

Click to predict properties on the Chemicalize site


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