N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-2,2-dimethylbutanamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-2,2-dimethylbutanamide
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-2,2-dimethylbutanamide
Compound characteristics
| Compound ID: | Y030-7112 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-2,2-dimethylbutanamide |
| Molecular Weight: | 323.84 |
| Molecular Formula: | C15 H18 Cl N3 O S |
| Smiles: | CCC(C)(C)C(Nc1nnc(Cc2ccc(cc2)[Cl])s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7822 |
| logD: | 4.7182 |
| logSw: | -4.8047 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.37 |
| InChI Key: | JGVRZHRGSXUGCO-UHFFFAOYSA-N |