N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-nitrobenzamide
Chemical Structure Depiction of
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-nitrobenzamide
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-2430 |
| Compound Name: | N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-nitrobenzamide |
| Molecular Weight: | 370.38 |
| Molecular Formula: | C17 H14 N4 O4 S |
| Smiles: | COc1ccc(Cc2nnc(NC(c3ccccc3[N+]([O-])=O)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4076 |
| logD: | 0.9474 |
| logSw: | -4.0439 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.723 |
| InChI Key: | OOTABKYAQPDVJM-UHFFFAOYSA-N |