methyl 7-(2H-1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 7-(2H-1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 7-(2H-1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2204-2972 |
| Compound Name: | methyl 7-(2H-1,3-benzodioxol-5-yl)-4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 496.36 |
| Molecular Formula: | C25 H22 Br N O5 |
| Smiles: | CC1=C(C(C2=C(CC(CC2=O)c2ccc3c(c2)OCO3)N1)c1ccc(cc1)[Br])C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2095 |
| logD: | 0.7292 |
| logSw: | -5.1988 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.939 |
| InChI Key: | GJFDKSYOZIHNKR-UHFFFAOYSA-N |