2-methyl-3-nitro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
2-methyl-3-nitro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
2-methyl-3-nitro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | Y032-4141 |
| Compound Name: | 2-methyl-3-nitro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C17 H14 N4 O3 S2 |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(Nc1nnc(CSc2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2517 |
| logD: | 1.6353 |
| logSw: | -4.4606 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.179 |
| InChI Key: | PNPKSSABWSMELV-UHFFFAOYSA-N |