4,5-dimethoxy-2-nitro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
4,5-dimethoxy-2-nitro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
4,5-dimethoxy-2-nitro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | Y032-4172 |
| Compound Name: | 4,5-dimethoxy-2-nitro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide |
| Molecular Weight: | 432.48 |
| Molecular Formula: | C18 H16 N4 O5 S2 |
| Smiles: | COc1cc(C(Nc2nnc(CSc3ccccc3)s2)=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.5315 |
| logD: | 1.0534 |
| logSw: | -4.0247 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.44 |
| InChI Key: | OUHFRNZOIDVBPK-UHFFFAOYSA-N |