3-(3,4-dimethoxyphenyl)-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}prop-2-enamide
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}prop-2-enamide
3-(3,4-dimethoxyphenyl)-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}prop-2-enamide
Compound characteristics
| Compound ID: | Y032-2771 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}prop-2-enamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | COc1ccc(Cc2nnc(NC(/C=C/c3ccc(c(c3)OC)OC)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1808 |
| logD: | 4.1657 |
| logSw: | -4.4172 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.689 |
| InChI Key: | FOJJEKXLVHQWEU-UHFFFAOYSA-N |