4-nitro-N-[(oxolan-2-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}benzamide
Chemical Structure Depiction of
4-nitro-N-[(oxolan-2-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}benzamide
4-nitro-N-[(oxolan-2-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}benzamide
Compound characteristics
| Compound ID: | V012-0183 |
| Compound Name: | 4-nitro-N-[(oxolan-2-yl)methyl]-N-{[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]methyl}benzamide |
| Molecular Weight: | 497.5 |
| Molecular Formula: | C25 H27 N3 O8 |
| Smiles: | COc1cc(cc(c1OC)OC)c1cc(CN(CC2CCCO2)C(c2ccc(cc2)[N+]([O-])=O)=O)no1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0146 |
| logD: | 3.0146 |
| logSw: | -3.4164 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 103.222 |
| InChI Key: | HITOECXIMWNZLH-HXUWFJFHSA-N |