methyl 4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y500-6794 |
| Compound Name: | methyl 4-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C20 H27 N3 O3 |
| Smiles: | CCn1cc(C2C(=C(C)NC3CC(C)(C)CC(C2=3)=O)C(=O)OC)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3091 |
| logD: | -1.8986 |
| logSw: | -2.5875 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.95 |
| InChI Key: | HKRJVOFQSXAULX-KRWDZBQOSA-N |