ethyl 4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y500-6755 |
| Compound Name: | ethyl 4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 371.48 |
| Molecular Formula: | C21 H29 N3 O3 |
| Smiles: | CCn1c(C)c(cn1)C1C(=C(C)NC2CC(C)(C)CC(C1=2)=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8708 |
| logD: | -1.3368 |
| logSw: | -3.0219 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.6 |
| InChI Key: | QVAPUMNWSDIULB-SFHVURJKSA-N |