5,5-diethyl-9-nitro-5H-isoindolo[2,1-a][3,1]benzoxazin-11(6aH)-one
Chemical Structure Depiction of
5,5-diethyl-9-nitro-5H-isoindolo[2,1-a][3,1]benzoxazin-11(6aH)-one
5,5-diethyl-9-nitro-5H-isoindolo[2,1-a][3,1]benzoxazin-11(6aH)-one
Compound characteristics
| Compound ID: | 8017-5480 |
| Compound Name: | 5,5-diethyl-9-nitro-5H-isoindolo[2,1-a][3,1]benzoxazin-11(6aH)-one |
| Molecular Weight: | 338.36 |
| Molecular Formula: | C19 H18 N2 O4 |
| Smiles: | CCC1(CC)c2ccccc2N2C(c3ccc(cc3C2=O)[N+]([O-])=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1349 |
| logD: | 4.1349 |
| logSw: | -4.3127 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.485 |
| InChI Key: | RFQACLSHYIWOMK-GOSISDBHSA-N |