ChemSpider 2D Image | 4-Amino-N~5~-{1-(5-methyl-2-furyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-N~5~-[3-(4-morpholinyl)propyl]-1,2-thiazole-3,5-dicarboxamide | C23H34N6O5S

4-Amino-N5-{1-(5-methyl-2-furyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-N5-[3-(4-morpholinyl)propyl]-1,2-thiazole-3,5-dicarboxamide

  • Molecular FormulaC23H34N6O5S
  • Average mass506.618 Da
  • Monoisotopic mass506.231140 Da
  • ChemSpider ID2425671

More details:

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

3,5-Isothiazoledicarboxamide, 4-amino-N5-[2-[(1,1-dimethylethyl)amino]-1-(5-methyl-2-furanyl)-2-oxoethyl]-N5-[3-(4-morpholinyl)propyl]- [ACD/Index Name]
4-Amino-N5-{1-(5-methyl-2-furyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-N5-[3-(4-morpholinyl)propyl]-1,2-thiazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
4-Amino-N5-{1-(5-methyl-2-furyl)-2-[(2-methyl-2-propanyl)amino]-2-oxoethyl}-N5-[3-(4-morpholinyl)propyl]-1,2-thiazole-3,5-dicarboxamide [ACD/IUPAC Name]
4-Amino-N5-{1-(5-méthyl-2-furyl)-2-[(2-méthyl-2-propanyl)amino]-2-oxoéthyl}-N5-[3-(4-morpholinyl)propyl]-1,2-thiazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]

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

ASN 03651636 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 649.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 346.5±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 133.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 0.07
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.80
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.46
ACD/KOC (pH 7.4): 41.52
Polar Surface Area: 185 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 57.9±3.0 dyne/cm
Molar Volume: 395.0±3.0 cm3

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