N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y031-3166 |
| Compound Name: | N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 383.42 |
| Molecular Formula: | C19 H17 N3 O4 S |
| Smiles: | COc1ccc(CCc2nnc(NC(c3ccc4c(c3)OCO4)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1684 |
| logD: | 3.9853 |
| logSw: | -4.3215 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.757 |
| InChI Key: | LEPGGZPNZGYHQC-UHFFFAOYSA-N |