N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-nitrophenyl)prop-2-enamide
Chemical Structure Depiction of
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-nitrophenyl)prop-2-enamide
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-nitrophenyl)prop-2-enamide
Compound characteristics
| Compound ID: | Y032-3166 |
| Compound Name: | N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(2-nitrophenyl)prop-2-enamide |
| Molecular Weight: | 396.42 |
| Molecular Formula: | C19 H16 N4 O4 S |
| Smiles: | COc1ccc(Cc2nnc(NC(/C=C/c3ccccc3[N+]([O-])=O)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1756 |
| logD: | 4.1534 |
| logSw: | -4.3598 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.509 |
| InChI Key: | DLWOMEAUKQDRDB-UHFFFAOYSA-N |