N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
Chemical Structure Depiction of
N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide
Compound characteristics
| Compound ID: | V029-1092 |
| Compound Name: | N-(5-{[(2-chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)propanamide |
| Molecular Weight: | 313.82 |
| Molecular Formula: | C12 H12 Cl N3 O S2 |
| Salt: | not_available |
| Smiles: | CCC(Nc1nnc(SCc2ccccc2[Cl])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9267 |
| logD: | 3.9252 |
| logSw: | -4.1003 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.022 |
| InChI Key: | QXHFRSVXSIWQAL-UHFFFAOYSA-N |