(oxolan-2-yl)methyl 4-(3-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
(oxolan-2-yl)methyl 4-(3-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
(oxolan-2-yl)methyl 4-(3-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2398-3529 |
| Compound Name: | (oxolan-2-yl)methyl 4-(3-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 446.34 |
| Molecular Formula: | C22 H24 Br N O4 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cccc(c1)[Br])C(=O)OCC1CCCO1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6342 |
| logD: | -0.2616 |
| logSw: | -3.8526 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.433 |
| InChI Key: | VLTZZSPEOIIXHC-UHFFFAOYSA-N |