Found 106 results

Search term: MF = 'C_{21}H_{28}N_{8}O_{2}S'
ChemSpider 2D Image | 5-Amino-N-{5-[(4S)-4-amino-1-azepanyl]-1-methyl-1H-pyrazol-4-yl}-2-(2-methoxy-4-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide | C21H28N8O2S

5-Amino-N-{5-[(4S)-4-amino-1-azepanyl]-1-methyl-1H-pyrazol-4-yl}-2-(2-methoxy-4-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide

  • Molecular FormulaC21H28N8O2S
  • Average mass456.564 Da
  • Monoisotopic mass456.205597 Da
  • ChemSpider ID58952586

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Thiazolecarboxamide, 5-amino-N-[5-[(4S)-4-aminohexahydro-1H-azepin-1-yl]-1-methyl-1H-pyrazol-4-yl]-2-(2-methoxy-4-methyl-3-pyridinyl)- [ACD/Index Name]
5-Amino-N-{5-[(4S)-4-amino-1-azepanyl]-1-methyl-1H-pyrazol-4-yl}-2-(2-methoxy-4-methyl-3-pyridinyl)-1,3-thiazol-4-carboxamid [German] [ACD/IUPAC Name]
5-Amino-N-{5-[(4S)-4-amino-1-azepanyl]-1-methyl-1H-pyrazol-4-yl}-2-(2-methoxy-4-methyl-3-pyridinyl)-1,3-thiazole-4-carboxamide [ACD/IUPAC Name]
5-Amino-N-{5-[(4S)-4-amino-1-azépanyl]-1-méthyl-1H-pyrazol-4-yl}-2-(2-méthoxy-4-méthyl-3-pyridinyl)-1,3-thiazole-4-carboxamide [French] [ACD/IUPAC 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.734
Molar Refractivity: 122.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: 1.22
ACD/LogD (pH 5.5): -2.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 165 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 62.3±7.0 dyne/cm
Molar Volume: 306.0±7.0 cm3

Click to predict properties on the Chemicalize site


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