methyl N-[1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl]tryptophanate
Chemical Structure Depiction of
methyl N-[1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl]tryptophanate
methyl N-[1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl]tryptophanate
Compound characteristics
| Compound ID: | 8016-2253 |
| Compound Name: | methyl N-[1-(4-chlorophenyl)-7,7-dimethyl-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carbonyl]tryptophanate |
| Molecular Weight: | 546.02 |
| Molecular Formula: | C30 H28 Cl N3 O5 |
| Smiles: | CC1(C)CC2=C(C=C(C(NC(Cc3c[nH]c4ccccc34)C(=O)OC)=O)C(N2c2ccc(cc2)[Cl])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0795 |
| logD: | 4.0774 |
| logSw: | -4.5767 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.668 |
| InChI Key: | XNCBOLWVYADRSQ-DEOSSOPVSA-N |