N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide
Chemical Structure Depiction of
N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide
N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | Y032-4131 |
| Compound Name: | N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide |
| Molecular Weight: | 370.38 |
| Molecular Formula: | C17 H14 N4 O4 S |
| Smiles: | COc1ccccc1Cc1nnc(NC(c2cccc(c2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8465 |
| logD: | 2.6696 |
| logSw: | -4.0672 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.11 |
| InChI Key: | JAKDOOFQFLWDLD-UHFFFAOYSA-N |