N'-(3,5-dimethoxybenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide
Chemical Structure Depiction of
N'-(3,5-dimethoxybenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide
N'-(3,5-dimethoxybenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide
Compound characteristics
| Compound ID: | K781-2656 |
| Compound Name: | N'-(3,5-dimethoxybenzoyl)-3-nitro-4-{[(oxolan-2-yl)methyl]sulfanyl}benzohydrazide |
| Molecular Weight: | 461.49 |
| Molecular Formula: | C21 H23 N3 O7 S |
| Smiles: | COc1cc(cc(c1)OC)C(NNC(c1ccc(c(c1)[N+]([O-])=O)SCC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2061 |
| logD: | 3.197 |
| logSw: | -3.633 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.986 |
| InChI Key: | DGHGBKRYAGGAJA-OAHLLOKOSA-N |