2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
Compound characteristics
| Compound ID: | V030-9609 |
| Compound Name: | 2-{[4-(3-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one |
| Molecular Weight: | 352.84 |
| Molecular Formula: | C15 H17 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1nnc(n1c1cccc(c1)[Cl])SCC(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3515 |
| logD: | 1.3515 |
| logSw: | -2.6087 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.062 |
| InChI Key: | KLXPNMURQBAPBR-UHFFFAOYSA-N |