ChemSpider 2D Image | 2-[3-(Aminomethyl)phenyl]-N-[6-(4-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}butyl)-3-pyridazinyl]acetamide | C27H29N7O2S

2-[3-(Aminomethyl)phenyl]-N-[6-(4-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}butyl)-3-pyridazinyl]acetamide

  • Molecular FormulaC27H29N7O2S
  • Average mass515.630 Da
  • Monoisotopic mass515.210327 Da
  • ChemSpider ID34959353

More details:

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

2-[3-(Aminométhyl)phényl]-N-[6-(4-{5-[(2-phénylacétyl)amino]-1,3,4-thiadiazol-2-yl}butyl)-3-pyridazinyl]acétamide [French] [ACD/IUPAC Name]
2-[3-(Aminomethyl)phenyl]-N-[6-(4-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}butyl)-3-pyridazinyl]acetamid [German] [ACD/IUPAC Name]
2-[3-(Aminomethyl)phenyl]-N-[6-(4-{5-[(phenylacetyl)amino]-1,3,4-thiadiazol-2-yl}butyl)-3-pyridazinyl]acetamide [ACD/IUPAC Name]
Benzeneacetamide, 3-(aminomethyl)-N-[6-[4-[5-[(2-phenylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-3-pyridazinyl]- [ACD/Index Name]
US8604016, 587

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.683
Molar Refractivity: 146.3±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.03
ACD/LogD (pH 5.5): -0.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.09
ACD/BCF (pH 7.4): 1.62
ACD/KOC (pH 7.4): 17.29
Polar Surface Area: 164 Å2
Polarizability: 58.0±0.5 10-24cm3
Surface Tension: 69.2±3.0 dyne/cm
Molar Volume: 385.9±3.0 cm3

Click to predict properties on the Chemicalize site


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