N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-phenoxybutanamide
Chemical Structure Depiction of
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-phenoxybutanamide
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-phenoxybutanamide
Compound characteristics
| Compound ID: | Y030-8983 |
| Compound Name: | N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-phenoxybutanamide |
| Molecular Weight: | 413.49 |
| Molecular Formula: | C21 H23 N3 O4 S |
| Smiles: | COc1ccc(Cc2nnc(NC(CCCOc3ccccc3)=O)s2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.4981 |
| logD: | 3.477 |
| logSw: | -3.8142 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.563 |
| InChI Key: | PGCDVKKDCSHXMU-UHFFFAOYSA-N |