N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-(2-methylpropanamido)benzamide
Chemical Structure Depiction of
N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-(2-methylpropanamido)benzamide
N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-(2-methylpropanamido)benzamide
Compound characteristics
| Compound ID: | Y031-3402 |
| Compound Name: | N-{5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl}-4-(2-methylpropanamido)benzamide |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | CC(C)C(Nc1ccc(cc1)C(Nc1nnc(CCc2ccc(cc2)OC)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4172 |
| logD: | 3.5263 |
| logSw: | -4.2021 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.005 |
| InChI Key: | VTXCOBKDFVAWRR-UHFFFAOYSA-N |