cycloheptyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
cycloheptyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
cycloheptyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2786-4445 |
| Compound Name: | cycloheptyl 4-(2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C25 H29 N O5 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1ccc2c(c1)OCO2)C(=O)OC1CCCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2255 |
| logD: | 1.3298 |
| logSw: | -5.0639 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.452 |
| InChI Key: | YSSHNMKQAZZMOK-QHCPKHFHSA-N |