Found 698 results

Search term: MF = 'C_{22}H_{33}N_{5}O_{2}S'
ChemSpider 2D Image | N-[[1-(Dimethylamino)cycloheptyl]methyl]-1,5-dihydro-3-(4-methoxyphenyl)-5-thioxo-4H-1,2,4-triazole-4-propanamide | C22H33N5O2S

N-[[1-(Dimethylamino)cycloheptyl]methyl]-1,5-dihydro-3-(4-methoxyphenyl)-5-thioxo-4H-1,2,4-triazole-4-propanamide

  • Molecular FormulaC22H33N5O2S
  • Average mass431.595 Da
  • Monoisotopic mass431.235504 Da
  • ChemSpider ID21878211

More details:

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

1017343-45-1 [RN]
4H-1,2,4-Triazole-4-propanamide, N-[[1-(dimethylamino)cycloheptyl]methyl]-1,5-dihydro-3-(4-methoxyphenyl)-5-thioxo- [ACD/Index Name]
N-[[1-(Dimethylamino)cycloheptyl]methyl]-1,5-dihydro-3-(4-methoxyphenyl)-5-thioxo-4H-1,2,4-triazole-4-propanamide
N-{[1-(Dimethylamino)cycloheptyl]methyl}-3-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]propanamid [German] [ACD/IUPAC Name]
N-{[1-(Dimethylamino)cycloheptyl]methyl}-3-[3-(4-methoxyphenyl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]propanamide [ACD/IUPAC Name]
N-{[1-(Diméthylamino)cycloheptyl]méthyl}-3-[3-(4-méthoxyphényl)-5-thioxo-1,5-dihydro-4H-1,2,4-triazol-4-yl]propanamide [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.616
Molar Refractivity: 122.9±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): -0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.03
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 18.44
Polar Surface Area: 101 Å2
Polarizability: 48.7±0.5 10-24cm3
Surface Tension: 45.3±7.0 dyne/cm
Molar Volume: 351.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement