2-propoxyethyl 4-(3-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-propoxyethyl 4-(3-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-propoxyethyl 4-(3-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | K813-0196 |
| Compound Name: | 2-propoxyethyl 4-(3-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 448.36 |
| Molecular Formula: | C22 H26 Br N O4 |
| Smiles: | CCCOCCOC(C1C(C2=C(CCCC2=O)NC=1C)c1cccc(c1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9984 |
| logD: | 0.1026 |
| logSw: | -4.1152 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.241 |
| InChI Key: | RKCDYEZROCSWSM-FQEVSTJZSA-N |