methyl N-[1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl]phenylalaninate
Chemical Structure Depiction of
methyl N-[1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl]phenylalaninate
methyl N-[1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl]phenylalaninate
Compound characteristics
| Compound ID: | 4781-0153 |
| Compound Name: | methyl N-[1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl]phenylalaninate |
| Molecular Weight: | 506.99 |
| Molecular Formula: | C28 H27 Cl N2 O5 |
| Smiles: | CC1(C)CC2=C(C=C(C(NC(Cc3ccccc3)C(=O)OC)=O)C(N2c2ccc(cc2)[Cl])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7875 |
| logD: | 3.7857 |
| logSw: | -4.4787 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.797 |
| InChI Key: | DLKCDTRIHWTPGD-QFIPXVFZSA-N |