ChemSpider 2D Image | N-[(3s,5s,7s)-Adamantan-1-ylcarbamoyl]-2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide | C21H24Cl2N6O2S

N-[(3s,5s,7s)-Adamantan-1-ylcarbamoyl]-2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

  • Molecular FormulaC21H24Cl2N6O2S
  • Average mass495.425 Da
  • Monoisotopic mass494.105835 Da
  • ChemSpider ID62363034

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Acetamide, 2-[[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]thio]-N-[(tricyclo[3.3.1.13,7]dec-1-ylamino)carbonyl]- [ACD/Index Name]
N-[(3s,5s,7s)-Adamantan-1-ylcarbamoyl]-2-{[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-ylcarbamoyl]-2-{[4-amino-5-(2,4-dichlorophényl)-4H-1,2,4-triazol-3-yl]sulfanyl}acétamide [French] [ACD/IUPAC Name]
N-[(3s,5s,7s)-Adamantan-1-ylcarbamoyl]-2-{[4-amino-5-(2,4-dichlorphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamid [German] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.810
Molar Refractivity: 123.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.49
ACD/LogD (pH 5.5): 4.45
ACD/BCF (pH 5.5): 1420.99
ACD/KOC (pH 5.5): 6283.63
ACD/LogD (pH 7.4): 4.45
ACD/BCF (pH 7.4): 1409.62
ACD/KOC (pH 7.4): 6233.33
Polar Surface Area: 140 Å2
Polarizability: 49.1±0.5 10-24cm3
Surface Tension: 74.9±7.0 dyne/cm
Molar Volume: 287.2±7.0 cm3

Click to predict properties on the Chemicalize site


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