13,13-dimethyl-10-nitro-6H,11bH,13H-[1,3]benzoxazino[3,4-a][3,1]benzoxazine
Chemical Structure Depiction of
13,13-dimethyl-10-nitro-6H,11bH,13H-[1,3]benzoxazino[3,4-a][3,1]benzoxazine
13,13-dimethyl-10-nitro-6H,11bH,13H-[1,3]benzoxazino[3,4-a][3,1]benzoxazine
Compound characteristics
| Compound ID: | 8014-8682 |
| Compound Name: | 13,13-dimethyl-10-nitro-6H,11bH,13H-[1,3]benzoxazino[3,4-a][3,1]benzoxazine |
| Molecular Weight: | 312.32 |
| Molecular Formula: | C17 H16 N2 O4 |
| Smiles: | CC1(C)c2ccccc2N2COc3ccc(cc3C2O1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1863 |
| logD: | 4.1863 |
| logSw: | -4.4289 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.19 |
| InChI Key: | DCSFIIWJFRXDHK-INIZCTEOSA-N |