4-(3-bromophenyl)-7,7-dimethyl-3-(4-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Chemical Structure Depiction of
4-(3-bromophenyl)-7,7-dimethyl-3-(4-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
4-(3-bromophenyl)-7,7-dimethyl-3-(4-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Compound characteristics
| Compound ID: | C202-2023 |
| Compound Name: | 4-(3-bromophenyl)-7,7-dimethyl-3-(4-nitrophenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
| Molecular Weight: | 493.36 |
| Molecular Formula: | C24 H21 Br N4 O3 |
| Smiles: | CC1(C)CC2=C(C(c3cccc(c3)[Br])c3c(c4ccc(cc4)[N+]([O-])=O)n[nH]c3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3424 |
| logD: | 5.3406 |
| logSw: | -5.4018 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.487 |
| InChI Key: | MBMRPNNGDWXBRI-IBGZPJMESA-N |