2-[(propan-2-yl)oxy]ethyl 4-(5-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-[(propan-2-yl)oxy]ethyl 4-(5-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-[(propan-2-yl)oxy]ethyl 4-(5-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3192-5317 |
| Compound Name: | 2-[(propan-2-yl)oxy]ethyl 4-(5-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 482.44 |
| Molecular Formula: | C22 H28 Br N O4 S |
| Smiles: | CC(C)OCCOC(C1C(C2=C(CC(C)(C)CC2=O)NC=1C)c1ccc(s1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4157 |
| logD: | -0.0239 |
| logSw: | -4.3423 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.188 |
| InChI Key: | AIGDBNVIISQUOL-FQEVSTJZSA-N |