ChemSpider 2D Image | 4-Amino-N~5~-(1,3-benzodioxol-5-ylmethyl)-N~5~-{1-[(3-methylbutyl)amino]-1-oxo-2-hexanyl}-1,2-thiazole-3,5-dicarboxamide | C24H33N5O5S

4-Amino-N5-(1,3-benzodioxol-5-ylmethyl)-N5-{1-[(3-methylbutyl)amino]-1-oxo-2-hexanyl}-1,2-thiazole-3,5-dicarboxamide

  • Molecular FormulaC24H33N5O5S
  • Average mass503.614 Da
  • Monoisotopic mass503.220245 Da
  • ChemSpider ID2430665

More details:

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

3,5-Isothiazoledicarboxamide, 4-amino-N5-(1,3-benzodioxol-5-ylmethyl)-N5-[1-[[(3-methylbutyl)amino]carbonyl]pentyl]- [ACD/Index Name]
4-Amino-N5-(1,3-benzodioxol-5-ylmethyl)-N5-{1-[(3-methylbutyl)amino]-1-oxo-2-hexanyl}-1,2-thiazol-3,5-dicarboxamid [German] [ACD/IUPAC Name]
4-Amino-N5-(1,3-benzodioxol-5-ylmethyl)-N5-{1-[(3-methylbutyl)amino]-1-oxo-2-hexanyl}-1,2-thiazole-3,5-dicarboxamide [ACD/IUPAC Name]
4-Amino-N5-(1,3-benzodioxol-5-ylméthyl)-N5-{1-[(3-méthylbutyl)amino]-1-oxo-2-hexanyl}-1,2-thiazole-3,5-dicarboxamide [French] [ACD/IUPAC Name]

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

ASN 03865817 [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: 655.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.1±31.5 °C
Index of Refraction: 1.604
Molar Refractivity: 134.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.89
ACD/KOC (pH 5.5): 285.19
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.89
ACD/KOC (pH 7.4): 285.20
Polar Surface Area: 178 Å2
Polarizability: 53.4±0.5 10-24cm3
Surface Tension: 59.5±3.0 dyne/cm
Molar Volume: 392.0±3.0 cm3

Click to predict properties on the Chemicalize site


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