N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-methyl-3,5-dinitrobenzamide
Chemical Structure Depiction of
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-methyl-3,5-dinitrobenzamide
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-methyl-3,5-dinitrobenzamide
Compound characteristics
| Compound ID: | Y032-2502 |
| Compound Name: | N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-methyl-3,5-dinitrobenzamide |
| Molecular Weight: | 429.41 |
| Molecular Formula: | C18 H15 N5 O6 S |
| Smiles: | Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(Nc1nnc(Cc2ccc(cc2)OC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7106 |
| logD: | 0.8865 |
| logSw: | -4.1003 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 121.104 |
| InChI Key: | CCKIOJODJNTUDQ-UHFFFAOYSA-N |