2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | V002-6771 |
| Compound Name: | 2-{[4,5-bis(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 449.36 |
| Molecular Formula: | C20 H18 Cl2 N4 O2 S |
| Salt: | not_available |
| Smiles: | C1COCCN1C(CSc1nnc(c2ccccc2[Cl])n1c1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5141 |
| logD: | 3.5141 |
| logSw: | -3.8683 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.713 |
| InChI Key: | HIPFVOMWZIEBRN-UHFFFAOYSA-N |