2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one
2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | D419-0218 |
| Compound Name: | 2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethan-1-one |
| Molecular Weight: | 457.98 |
| Molecular Formula: | C22 H24 Cl N5 O2 S |
| Smiles: | C1CN(CCN1CCO)C(CSc1nnc(c2ccc(cc2)[Cl])n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8833 |
| logD: | 2.8677 |
| logSw: | -3.4585 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.551 |
| InChI Key: | BFCQWOKLYNQDNP-UHFFFAOYSA-N |