N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-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-(pyrrolidine-1-sulfonyl)benzamide
N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 2515-5453 |
| Compound Name: | N-{[4-(2-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-4-(pyrrolidine-1-sulfonyl)benzamide |
| Molecular Weight: | 477.99 |
| Molecular Formula: | C20 H20 Cl N5 O3 S2 |
| Smiles: | C1CCN(C1)S(c1ccc(cc1)C(NCC1=NNC(N1c1ccccc1[Cl])=S)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.87 |
| logD: | 0.2465 |
| logSw: | -3.6228 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.29 |
| InChI Key: | JSBKKNYSGRJJIK-UHFFFAOYSA-N |