9-nitro-5,5-diphenyl-5H-isoindolo[2,1-a][3,1]benzoxazin-11(6aH)-one
Chemical Structure Depiction of
9-nitro-5,5-diphenyl-5H-isoindolo[2,1-a][3,1]benzoxazin-11(6aH)-one
9-nitro-5,5-diphenyl-5H-isoindolo[2,1-a][3,1]benzoxazin-11(6aH)-one
Compound characteristics
| Compound ID: | 8017-5478 |
| Compound Name: | 9-nitro-5,5-diphenyl-5H-isoindolo[2,1-a][3,1]benzoxazin-11(6aH)-one |
| Molecular Weight: | 434.45 |
| Molecular Formula: | C27 H18 N2 O4 |
| Smiles: | c1ccc(cc1)C1(c2ccccc2)c2ccccc2N2C(c3ccc(cc3C2=O)[N+]([O-])=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8223 |
| logD: | 5.8223 |
| logSw: | -5.911 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.457 |
| InChI Key: | YBCFEDVIRQOXIG-AREMUKBSSA-N |