N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-phenylbutanamide
Chemical Structure Depiction of
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-phenylbutanamide
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-phenylbutanamide
Compound characteristics
| Compound ID: | Y030-8993 |
| Compound Name: | N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-phenylbutanamide |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | COc1ccc(Cc2nnc(NC(CCCc3ccccc3)=O)s2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.0998 |
| logD: | 3.9407 |
| logSw: | -4.3716 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.146 |
| InChI Key: | HMIKHTLESGFVLM-UHFFFAOYSA-N |