N-{[4-(3-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-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(piperidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 3330-2977 |
| Compound Name: | N-{[4-(3-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(N1c1cccc(c1)[Cl])=S)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3516 |
| logD: | 1.6195 |
| logSw: | -3.8742 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.225 |
| InChI Key: | XBHFMZCXCJARFO-UHFFFAOYSA-N |