ethyl 4-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperazine-1-carboxylate
ethyl 4-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | D419-0216 |
| Compound Name: | ethyl 4-({[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)piperazine-1-carboxylate |
| Molecular Weight: | 485.99 |
| Molecular Formula: | C23 H24 Cl N5 O3 S |
| Smiles: | CCOC(N1CCN(CC1)C(CSc1nnc(c2ccc(cc2)[Cl])n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0613 |
| logD: | 4.0613 |
| logSw: | -4.4622 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.885 |
| InChI Key: | RXVVGBNCHSAAKN-UHFFFAOYSA-N |