N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}propanamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}propanamide
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}propanamide
Compound characteristics
| Compound ID: | 8008-7614 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}propanamide |
| Molecular Weight: | 281.76 |
| Molecular Formula: | C12 H12 Cl N3 O S |
| Smiles: | CCC(Nc1nnc(Cc2ccc(cc2)[Cl])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1096 |
| logD: | 3.096 |
| logSw: | -3.531 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.156 |
| InChI Key: | KKWUGVHFZCVXHL-UHFFFAOYSA-N |