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Search term: BCHJOEWNJFXZEK (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1s,7s)-7-Amino-7-Benzyl-N-[(1s)-4-Carbamimidamido-1-{(1s)-1-Hydroxy-2-Oxo-2-[(2-Phenylethyl)amino]ethyl}butyl]-8-Oxohexahydro-1h-Pyrazolo[1,2-A]pyridazine-1-Carboxamide | C30H42N8O4

(1s,7s)-7-Amino-7-Benzyl-N-[(1s)-4-Carbamimidamido-1-{(1s)-1-Hydroxy-2-Oxo-2-[(2-Phenylethyl)amino]ethyl}butyl]-8-Oxohexahydro-1h-Pyrazolo[1,2-A]pyridazine-1-Carboxamide

  • Molecular FormulaC30H42N8O4
  • Average mass578.706 Da
  • Monoisotopic mass578.332886 Da
  • ChemSpider ID4450087

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1s,7s)-7-Amino-7-Benzyl-N-[(1s)-4-Carbamimidamido-1-{(1s)-1-Hydroxy-2-Oxo-2-[(2-Phenylethyl)amino]ethyl}butyl]-8-Oxohexahydro-1h-Pyrazolo[1,2-A]pyridazine-1-Carboxamide
(1S,7S)-7-Amino-7-benzyl-N-{(2S,3S)-6-[(diaminomethylen)amino]-2-hydroxy-1-oxo-1-[(2-phenylethyl)amino]-3-hexanyl}-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazin-1-carboxamid [German] [ACD/IUPAC Name]
(1S,7S)-7-Amino-7-benzyl-N-{(2S,3S)-6-[(diaminomethylene)amino]-2-hydroxy-1-oxo-1-[(2-phenylethyl)amino]-3-hexanyl}-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide [ACD/IUPAC Name]
(1S,7S)-7-Amino-7-benzyl-N-{(2S,3S)-6-[(diaminométhylène)amino]-2-hydroxy-1-oxo-1-[(2-phényléthyl)amino]-3-hexanyl}-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide [French] [ACD/IUPAC Name]
BIC-ARG-EOA

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 157.4±0.5 cm3
#H bond acceptors: 12
#H bond donors: 9
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -0.46
ACD/LogD (pH 5.5): -3.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 192 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 61.7±7.0 dyne/cm
Molar Volume: 421.1±7.0 cm3

Click to predict properties on the Chemicalize site


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