ethyl 4-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperazine-1-carboxylate
ethyl 4-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | D419-0018 |
| Compound Name: | ethyl 4-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}piperazine-1-carboxylate |
| Molecular Weight: | 451.55 |
| Molecular Formula: | C23 H25 N5 O3 S |
| Smiles: | CCOC(N1CCN(CC1)C(CSc1nnc(c2ccccc2)n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3616 |
| logD: | 3.3616 |
| logSw: | -3.379 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.885 |
| InChI Key: | QZDYHKDGWNTRHY-UHFFFAOYSA-N |