N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | 5596-0511 |
| Compound Name: | N-{5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide |
| Molecular Weight: | 429.92 |
| Molecular Formula: | C21 H20 Cl N3 O3 S |
| Smiles: | CCOc1ccc(/C=C/C(Nc2nnc(Cc3ccc(cc3)[Cl])s2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.1387 |
| logD: | 5.1236 |
| logSw: | -5.7366 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.725 |
| InChI Key: | YLULQTFJIXRZES-UHFFFAOYSA-N |