N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4,5-triethoxybenzamide
Chemical Structure Depiction of
N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4,5-triethoxybenzamide
N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4,5-triethoxybenzamide
Compound characteristics
| Compound ID: | 2515-5524 |
| Compound Name: | N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-3,4,5-triethoxybenzamide |
| Molecular Weight: | 476.98 |
| Molecular Formula: | C22 H25 Cl N4 O4 S |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(NCC1=NNC(N1c1cccc(c1)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9939 |
| logD: | 2.2617 |
| logSw: | -4.385 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.231 |
| InChI Key: | ZPCILVFVPLSWEY-UHFFFAOYSA-N |