N'-[(4-methoxyphenyl)acetyl]-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide
Chemical Structure Depiction of
N'-[(4-methoxyphenyl)acetyl]-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide
N'-[(4-methoxyphenyl)acetyl]-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide
Compound characteristics
| Compound ID: | K781-2722 |
| Compound Name: | N'-[(4-methoxyphenyl)acetyl]-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide |
| Molecular Weight: | 445.49 |
| Molecular Formula: | C21 H23 N3 O6 S |
| Smiles: | COc1ccc(CC(NNC(c2ccc(c(c2)[N+]([O-])=O)SCC2CCCO2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6478 |
| logD: | 2.634 |
| logSw: | -3.1124 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.229 |
| InChI Key: | BOUBKLGKQIEAGF-QGZVFWFLSA-N |