methyl 4-(4-bromo-5-methylthiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(4-bromo-5-methylthiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(4-bromo-5-methylthiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3830-0830 |
| Compound Name: | methyl 4-(4-bromo-5-methylthiophen-2-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 396.3 |
| Molecular Formula: | C17 H18 Br N O3 S |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cc(c(C)s1)[Br])C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.745 |
| logD: | -0.3033 |
| logSw: | -4.0311 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.113 |
| InChI Key: | NFVIFHQKHQBINW-INIZCTEOSA-N |