methyl 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
methyl 4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 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: | Y500-6753 |
| Compound Name: | methyl 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: | 357.45 |
| Molecular Formula: | C20 H27 N3 O3 |
| Smiles: | CCn1c(C)c(cn1)C1C(=C(C)NC2CC(C)(C)CC(C1=2)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4303 |
| logD: | -1.7774 |
| logSw: | -2.5888 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.02 |
| InChI Key: | OHZNXNYJTTVXGF-KRWDZBQOSA-N |