N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(phenylsulfanyl)propanamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(phenylsulfanyl)propanamide
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(phenylsulfanyl)propanamide
Compound characteristics
| Compound ID: | Y031-1091 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(phenylsulfanyl)propanamide |
| Molecular Weight: | 389.92 |
| Molecular Formula: | C18 H16 Cl N3 O S2 |
| Smiles: | C(CSc1ccccc1)C(Nc1nnc(Cc2ccc(cc2)[Cl])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7879 |
| logD: | 4.743 |
| logSw: | -5.0518 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.885 |
| InChI Key: | KHWVELHSKGHXQU-UHFFFAOYSA-N |