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Search term: KGPPNICQMKOJFH (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 4-Amino-N~5~-(1,3-benzodioxol-5-yl)-N~5~-[2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide | C27H29N5O6S

4-Amino-N5-(1,3-benzodioxol-5-yl)-N5-[2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide

  • Molecular FormulaC27H29N5O6S
  • Average mass551.614 Da
  • Monoisotopic mass551.183838 Da
  • ChemSpider ID2436800

More details:






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

3,5-Isothiazoledicarboxamide, 4-amino-N5-1,3-benzodioxol-5-yl-N5-[2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]- [ACD/Index Name]
4-Amino-N5-(1,3-benzodioxol-5-yl)-N5-[2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-1,2-thiazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
4-Amino-N5-(1,3-benzodioxol-5-yl)-N5-[2-(cyclopentylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-1,2-thiazole-3,5-dicarboxamide [ACD/IUPAC Name]
4-Amino-N5-(1,3-benzodioxol-5-yl)-N5-[2-(cyclopentylamino)-1-(4-éthoxyphényl)-2-oxoéthyl]-1,2-thiazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]

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

ASN 04365108 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 749.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.3±3.0 kJ/mol
Flash Point: 407.1±32.9 °C
Index of Refraction: 1.685
Molar Refractivity: 143.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.99
ACD/KOC (pH 5.5): 338.45
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.99
ACD/KOC (pH 7.4): 338.45
Polar Surface Area: 187 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 79.9±5.0 dyne/cm
Molar Volume: 378.4±5.0 cm3

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