4,5-dimethoxy-2-nitro-N-(2-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)benzamide
Chemical Structure Depiction of
4,5-dimethoxy-2-nitro-N-(2-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)benzamide
4,5-dimethoxy-2-nitro-N-(2-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)benzamide
Compound characteristics
| Compound ID: | Y032-4170 |
| Compound Name: | 4,5-dimethoxy-2-nitro-N-(2-{[(oxolan-2-yl)methyl]carbamoyl}phenyl)benzamide |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C21 H23 N3 O7 |
| Smiles: | COc1cc(C(Nc2ccccc2C(NCC2CCCO2)=O)=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8152 |
| logD: | 1.4605 |
| logSw: | -2.6782 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.041 |
| InChI Key: | YOIIIIWJMRDQDV-CYBMUJFWSA-N |