methyl 4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate
Chemical Structure Depiction of
methyl 4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate
methyl 4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate
Compound characteristics
| Compound ID: | 5171-2631 |
| Compound Name: | methyl 4-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)-4-oxobutanoate |
| Molecular Weight: | 417.5 |
| Molecular Formula: | C23 H31 N O6 |
| Smiles: | CC1(C)CC(=C(C(CCC(=O)OC)=O)C(C1)=O)NCCc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2563 |
| logD: | 2.1317 |
| logSw: | -2.8438 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.65 |
| InChI Key: | AMAOOTYEPCSBLD-UHFFFAOYSA-N |