N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-methyl-3-nitrobenzamide
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-2433 |
| Compound Name: | N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 384.41 |
| Molecular Formula: | C18 H16 N4 O4 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(Nc1nnc(Cc2ccc(cc2)OC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9597 |
| logD: | 2.2654 |
| logSw: | -4.1971 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.723 |
| InChI Key: | FIYHJBMFYFESMN-UHFFFAOYSA-N |