N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
Compound characteristics
Compound ID: | 2515-5451 |
Compound Name: | N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide |
Molecular Weight: | 492.02 |
Molecular Formula: | C21 H22 Cl N5 O3 S2 |
Smiles: | C1CCN(CC1)S(c1ccc(cc1)C(NCC1=NNC(N1c1ccccc1[Cl])=S)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.2006 |
logD: | 0.577 |
logSw: | -3.7008 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 82.924 |
InChI Key: | OBUWQEPBIKHINT-UHFFFAOYSA-N |