7,7-dimethyl-3-(4-nitrophenyl)-4-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Chemical Structure Depiction of
7,7-dimethyl-3-(4-nitrophenyl)-4-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
7,7-dimethyl-3-(4-nitrophenyl)-4-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Compound characteristics
| Compound ID: | C202-1879 |
| Compound Name: | 7,7-dimethyl-3-(4-nitrophenyl)-4-(thiophen-2-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C22 H20 N4 O3 S |
| Smiles: | CC1(C)CC2=C(C(c3c(c4ccc(cc4)[N+]([O-])=O)n[nH]c3N2)c2cccs2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1996 |
| logD: | 4.197 |
| logSw: | -4.3278 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.506 |
| InChI Key: | VBUMRGFHBCPVID-GOSISDBHSA-N |