N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbutanamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbutanamide
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbutanamide
Compound characteristics
| Compound ID: | Y030-7117 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-methylbutanamide |
| Molecular Weight: | 309.82 |
| Molecular Formula: | C14 H16 Cl N3 O S |
| Smiles: | CC(C)CC(Nc1nnc(Cc2ccc(cc2)[Cl])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0298 |
| logD: | 3.9972 |
| logSw: | -4.4448 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.156 |
| InChI Key: | RTSDDNPJCQJJPA-UHFFFAOYSA-N |