4,5-dimethoxy-2-nitro-N-[2-(phenylsulfanyl)phenyl]benzamide
Chemical Structure Depiction of
4,5-dimethoxy-2-nitro-N-[2-(phenylsulfanyl)phenyl]benzamide
4,5-dimethoxy-2-nitro-N-[2-(phenylsulfanyl)phenyl]benzamide
Compound characteristics
| Compound ID: | Y032-3787 |
| Compound Name: | 4,5-dimethoxy-2-nitro-N-[2-(phenylsulfanyl)phenyl]benzamide |
| Molecular Weight: | 410.45 |
| Molecular Formula: | C21 H18 N2 O5 S |
| Smiles: | COc1cc(C(Nc2ccccc2Sc2ccccc2)=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.2782 |
| logD: | 4.278 |
| logSw: | -4.4011 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.702 |
| InChI Key: | UXDCFFRDMKQRNA-UHFFFAOYSA-N |