ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 8008-6320 |
| Compound Name: | ethyl 4-{[3-(2-chlorophenyl)-4-methyl-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 395.91 |
| Molecular Formula: | C17 H22 Cl N5 O2 S |
| Smiles: | CCOC(N1CCN(CC1)CN1C(N(C)C(c2ccccc2[Cl])=N1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7852 |
| logD: | 2.2798 |
| logSw: | -3.6307 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.082 |
| InChI Key: | IONWRXUJYXIVEQ-UHFFFAOYSA-N |