2-methyl-3,5-dinitro-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
2-methyl-3,5-dinitro-N-[(oxolan-2-yl)methyl]benzamide
2-methyl-3,5-dinitro-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y032-0881 |
| Compound Name: | 2-methyl-3,5-dinitro-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 309.28 |
| Molecular Formula: | C13 H15 N3 O6 |
| Smiles: | Cc1c(cc(cc1[N+]([O-])=O)[N+]([O-])=O)C(NCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5269 |
| logD: | 1.526 |
| logSw: | -2.3492 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.768 |
| InChI Key: | QWSZFGVNCYEGTL-SNVBAGLBSA-N |