N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3,3-dimethylbutanamide
Chemical Structure Depiction of
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3,3-dimethylbutanamide
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3,3-dimethylbutanamide
Compound characteristics
| Compound ID: | Y030-7109 |
| Compound Name: | N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3,3-dimethylbutanamide |
| Molecular Weight: | 319.42 |
| Molecular Formula: | C16 H21 N3 O2 S |
| Smiles: | CC(C)(C)CC(Nc1nnc(Cc2ccc(cc2)OC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8512 |
| logD: | 3.8011 |
| logSw: | -4.0767 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.7 |
| InChI Key: | VWKMMOSIWDNNLP-UHFFFAOYSA-N |