4,4-dimethyl-2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-1,4-dihydro-2H-3,1-benzoxazine
Chemical Structure Depiction of
4,4-dimethyl-2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-1,4-dihydro-2H-3,1-benzoxazine
4,4-dimethyl-2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-1,4-dihydro-2H-3,1-benzoxazine
Compound characteristics
| Compound ID: | 8013-6272 |
| Compound Name: | 4,4-dimethyl-2-[1-(4-nitrophenyl)-1H-pyrrol-2-yl]-1,4-dihydro-2H-3,1-benzoxazine |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C20 H19 N3 O3 |
| Smiles: | CC1(C)c2ccccc2NC(c2cccn2c2ccc(cc2)[N+]([O-])=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6459 |
| logD: | 4.6459 |
| logSw: | -4.5122 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.331 |
| InChI Key: | ZJQCDTKQSKRTAD-IBGZPJMESA-N |