cyclopentyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
cyclopentyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
cyclopentyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3490-5472 |
| Compound Name: | cyclopentyl 4-(4-hydroxy-3-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C22 H24 N2 O6 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(c(c1)[N+]([O-])=O)O)C(=O)OC1CCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8461 |
| logD: | -0.0497 |
| logSw: | -3.8632 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94 |
| InChI Key: | SPBCRMDLNNKOAQ-FQEVSTJZSA-N |