2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,5-dimethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,5-dimethoxyphenyl)ethan-1-one
2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,5-dimethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | V002-7355 |
| Compound Name: | 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,5-dimethoxyphenyl)ethan-1-one |
| Molecular Weight: | 500.4 |
| Molecular Formula: | C24 H19 Cl2 N3 O3 S |
| Salt: | not_available |
| Smiles: | COc1ccc(c(c1)C(CSc1nnc(c2ccccc2[Cl])n1c1ccccc1[Cl])=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.6496 |
| logD: | 5.6496 |
| logSw: | -5.7978 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.833 |
| InChI Key: | LGHCBPAYAXTKQA-UHFFFAOYSA-N |