ChemSpider 2D Image | 7-Amino-7-benzyl-N-[5-carbamimidamido-1-hydroxy-1-(1,3-thiazol-2-yl)-2-pentanyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide | C24H34N8O3S

7-Amino-7-benzyl-N-[5-carbamimidamido-1-hydroxy-1-(1,3-thiazol-2-yl)-2-pentanyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide

  • Molecular FormulaC24H34N8O3S
  • Average mass514.644 Da
  • Monoisotopic mass514.247437 Da
  • ChemSpider ID21395681

More details:






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

(1s,7s)-7-Amino-7-Benzyl-N-{(1s)-4-Carbamimidamido-1-[(S)-Hydroxy(1,3-Thiazol-2-Yl)methyl]butyl}-8-Oxohexahydro-1h-Pyrazolo[1,2-A]pyridazine-1-Carboxamide
1H-Pyrazolo[1,2-a]pyridazine-1-carboxamide, 7-amino-N-[4-[[(Z)-aminoiminomethyl]amino]-1-(hydroxy-2-thiazolylmethyl)butyl]hexahydro-8-oxo-7-(phenylmethyl)- [ACD/Index Name]
7-Amino-7-benzyl-N-[5-carbamimidamido-1-hydroxy-1-(1,3-thiazol-2-yl)-2-pentanyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazin-1-carboxamid [German] [ACD/IUPAC Name]
7-Amino-7-benzyl-N-[5-carbamimidamido-1-hydroxy-1-(1,3-thiazol-2-yl)-2-pentanyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide [ACD/IUPAC Name]
7-Amino-7-benzyl-N-[5-carbamimidamido-1-hydroxy-1-(1,3-thiazol-2-yl)-2-pentanyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.731
Molar Refractivity: 136.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.45
ACD/LogD (pH 5.5): -4.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 70.7±7.0 dyne/cm
Molar Volume: 342.1±7.0 cm3

Click to predict properties on the Chemicalize site






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