2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | V010-8634 |
| Compound Name: | 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 440.35 |
| Molecular Formula: | C22 H15 Cl2 N3 O S |
| Salt: | not_available |
| Smiles: | C(C(c1ccccc1)=O)Sc1nnc(c2ccccc2[Cl])n1c1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4321 |
| logD: | 5.4321 |
| logSw: | -5.8054 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.659 |
| InChI Key: | SBGXKFJZWKARQZ-UHFFFAOYSA-N |