7,7-dimethyl-3,4-bis(4-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Chemical Structure Depiction of
7,7-dimethyl-3,4-bis(4-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
7,7-dimethyl-3,4-bis(4-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Compound characteristics
| Compound ID: | E710-0055 |
| Compound Name: | 7,7-dimethyl-3,4-bis(4-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
| Molecular Weight: | 459.46 |
| Molecular Formula: | C24 H21 N5 O5 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(cc3)[N+]([O-])=O)c3c(c4ccc(cc4)[N+]([O-])=O)n[nH]c3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4296 |
| logD: | 4.4278 |
| logSw: | -4.4857 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.869 |
| InChI Key: | XKUWQZWIPHAKFR-IBGZPJMESA-N |