ethyl 4-{[4-benzyl-3-(4-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[4-benzyl-3-(4-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
ethyl 4-{[4-benzyl-3-(4-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | 8009-3923 |
| Compound Name: | ethyl 4-{[4-benzyl-3-(4-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-1-yl]methyl}piperazine-1-carboxylate |
| Molecular Weight: | 472.01 |
| Molecular Formula: | C23 H26 Cl N5 O2 S |
| Smiles: | CCOC(N1CCN(CC1)CN1C(N(Cc2ccccc2)C(c2ccc(cc2)[Cl])=N1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8067 |
| logD: | 4.4318 |
| logSw: | -4.8701 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.045 |
| InChI Key: | IJKNENKWBWWALG-UHFFFAOYSA-N |