3-(4-bromophenyl)-7,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Chemical Structure Depiction of
3-(4-bromophenyl)-7,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
3-(4-bromophenyl)-7,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one
Compound characteristics
| Compound ID: | C202-2592 |
| Compound Name: | 3-(4-bromophenyl)-7,7-dimethyl-4-(2,4,5-trimethoxyphenyl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
| Molecular Weight: | 538.44 |
| Molecular Formula: | C27 H28 Br N3 O4 |
| Smiles: | CC1(C)CC2=C(C(c3cc(c(cc3OC)OC)OC)c3c(c4ccc(cc4)[Br])n[nH]c3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9353 |
| logD: | 4.9335 |
| logSw: | -4.6876 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.997 |
| InChI Key: | ODLWXGGPACJERK-QFIPXVFZSA-N |