Found 38 results

Search term: MF = 'C_{25}H_{32}Cl_{2}N_{6}O_{2}'
ChemSpider 2D Image | N-[(3s,5s,7s)-Adamantan-1-yl]-2-{[5,6-dichloro-2-(4-piperidinyl)-1H-benzimidazol-1-yl]acetyl}hydrazinecarboxamide | C25H32Cl2N6O2

N-[(3s,5s,7s)-Adamantan-1-yl]-2-{[5,6-dichloro-2-(4-piperidinyl)-1H-benzimidazol-1-yl]acetyl}hydrazinecarboxamide

  • Molecular FormulaC25H32Cl2N6O2
  • Average mass519.467 Da
  • Monoisotopic mass518.196350 Da
  • ChemSpider ID23118542

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1H-Benzimidazole-1-acetic acid, 5,6-dichloro-2-(4-piperidinyl)-, 2-[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]hydrazide [ACD/Index Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-2-{[5,6-dichlor-2-(4-piperidinyl)-1H-benzimidazol-1-yl]acetyl}hydrazincarboxamid [German] [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-2-{[5,6-dichloro-2-(4-piperidinyl)-1H-benzimidazol-1-yl]acetyl}hydrazinecarboxamide [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-yl]-2-{2-[5,6-dichloro-2-(4-pipéridinyl)-1H-benzimidazol-1-yl]acétyl}hydrazinecarboxamide [French] [ACD/IUPAC Name]
2-{[5,6-dichloro-2-(piperidin-4-yl)-1H-benzimidazol-1-yl]acetyl}-N-[(3s,5s,7s)-tricyclo[3.3.1.13,7]dec-1-yl]hydrazinecarboxamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL277938/
N-{[(adamantan-1-yl)carbamoyl]amino}-2-[5,6-dichloro-2-(piperidin-4-yl)-1H-1,3-benzodiazol-1-yl]acetamide

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.783
Molar Refractivity: 133.1±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.59
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.43
ACD/LogD (pH 7.4): 1.52
ACD/BCF (pH 7.4): 2.38
ACD/KOC (pH 7.4): 14.41
Polar Surface Area: 100 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 67.8±7.0 dyne/cm
Molar Volume: 316.4±7.0 cm3

Click to predict properties on the Chemicalize site


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