N-[4-(azepane-1-carbonyl)phenyl]-5-[(3,4-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-[4-(azepane-1-carbonyl)phenyl]-5-[(3,4-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
N-[4-(azepane-1-carbonyl)phenyl]-5-[(3,4-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F913-0761 |
| Compound Name: | N-[4-(azepane-1-carbonyl)phenyl]-5-[(3,4-dimethoxyphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | COc1ccc(cc1OC)OCc1nnc(C(Nc2ccc(cc2)C(N2CCCCCC2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.1251 |
| logD: | 3.1184 |
| logSw: | -3.5802 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.797 |
| InChI Key: | WYPCSXRGVOYNHC-UHFFFAOYSA-N |