ChemSpider 2D Image | 6-{5-[(2-Amino-4-pyrimidinyl)amino]-2-hydroxyphenyl}-N-methylene-1-benzothiophene-2-carboxamide | C20H15N5O2S

6-{5-[(2-Amino-4-pyrimidinyl)amino]-2-hydroxyphenyl}-N-methylene-1-benzothiophene-2-carboxamide

  • Molecular FormulaC20H15N5O2S
  • Average mass389.430 Da
  • Monoisotopic mass389.094635 Da
  • ChemSpider ID25058953

More details:

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

6-{5-[(2-Amino-4-pyrimidinyl)amino]-2-hydroxyphenyl}-N-methylen-1-benzothiophen-2-carboxamid [German] [ACD/IUPAC Name]
6-{5-[(2-Amino-4-pyrimidinyl)amino]-2-hydroxyphenyl}-N-methylene-1-benzothiophene-2-carboxamide [ACD/IUPAC Name]
6-{5-[(2-Amino-4-pyrimidinyl)amino]-2-hydroxyphényl}-N-méthylène-1-benzothiophène-2-carboxamide [French] [ACD/IUPAC Name]
6-{5-[(2-Aminopyrimidin-4-Yl)amino]-2-Hydroxyphenyl}-N-Methylidene-1-Benzothiophene-2-Carboxamide
Benzo[b]thiophene-2-carboxamide, 6-[5-[(2-amino-4-pyrimidinyl)amino]-2-hydroxyphenyl]-N-methylene- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 702.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.5±3.0 kJ/mol
Flash Point: 378.6±35.7 °C
Index of Refraction: 1.753
Molar Refractivity: 108.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.52
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 292.55
ACD/KOC (pH 5.5): 1405.49
ACD/LogD (pH 7.4): 4.26
ACD/BCF (pH 7.4): 1013.05
ACD/KOC (pH 7.4): 4867.05
Polar Surface Area: 142 Å2
Polarizability: 42.8±0.5 10-24cm3
Surface Tension: 63.9±7.0 dyne/cm
Molar Volume: 264.2±7.0 cm3

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