4-methoxy-3-nitro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
4-methoxy-3-nitro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
4-methoxy-3-nitro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | Y032-4163 |
| Compound Name: | 4-methoxy-3-nitro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide |
| Molecular Weight: | 402.45 |
| Molecular Formula: | C17 H14 N4 O4 S2 |
| Smiles: | COc1ccc(cc1[N+]([O-])=O)C(Nc1nnc(CSc2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5095 |
| logD: | 1.7294 |
| logSw: | -3.9827 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.809 |
| InChI Key: | LKSCKRBMLMPXHQ-UHFFFAOYSA-N |