N-(3-chlorophenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide
N-(3-chlorophenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide
Compound characteristics
Compound ID: | F151-0396 |
Compound Name: | N-(3-chlorophenyl)-2-{[5-oxo-6-(2-propanamidophenyl)-4,5-dihydro-1,2,4-triazin-3-yl]sulfanyl}butanamide |
Molecular Weight: | 471.96 |
Molecular Formula: | C22 H22 Cl N5 O3 S |
Smiles: | CCC(C(Nc1cccc(c1)[Cl])=O)SC1NC(C(c2ccccc2NC(CC)=O)=NN=1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.2857 |
logD: | 4.2237 |
logSw: | -4.4079 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 90.61 |
InChI Key: | TVZSIKBPIKZCKP-KRWDZBQOSA-N |