prop-2-en-1-yl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
prop-2-en-1-yl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1901-0024 |
| Compound Name: | prop-2-en-1-yl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 401.85 |
| Molecular Formula: | C21 H20 Cl N O5 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cc2c(cc1[Cl])OCO2)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.806 |
| logD: | 0.3308 |
| logSw: | -4.115 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.084 |
| InChI Key: | MYGJTHTZZLMFRU-IBGZPJMESA-N |