N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Chemical Structure Depiction of
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-2517 |
| Compound Name: | N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(3,4,5-trimethoxyphenyl)prop-2-enamide |
| Molecular Weight: | 441.5 |
| Molecular Formula: | C22 H23 N3 O5 S |
| Smiles: | COc1ccc(Cc2nnc(NC(/C=C/c3cc(c(c(c3)OC)OC)OC)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.019 |
| logD: | 4.004 |
| logSw: | -4.2974 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.407 |
| InChI Key: | IFCMSUBYAGPCQH-UHFFFAOYSA-N |