methyl 4-(1,3-dimethyl-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-(1,3-dimethyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(1,3-dimethyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | Y501-2601 |
| Compound Name: | methyl 4-(1,3-dimethyl-1H-pyrazol-4-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 343.42 |
| Molecular Formula: | C19 H25 N3 O3 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cn(C)nc1C)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9019 |
| logD: | -2.3058 |
| logSw: | -2.3951 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.257 |
| InChI Key: | UPNXXRJVUOCIHS-INIZCTEOSA-N |