ethyl 1-(4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-ethylpyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-ethylpyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-4-carboxylate
ethyl 1-(4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-ethylpyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V026-2335 |
| Compound Name: | ethyl 1-(4-{[(4-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-6-ethylpyrimidin-2-yl)sulfanyl]methyl}benzoyl)piperidine-4-carboxylate |
| Molecular Weight: | 606.79 |
| Molecular Formula: | C33 H42 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(cc1)C(N1CCC(CC1)C(=O)OCC)=O)N(C)CCc1ccc(c(c1)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.9966 |
| logD: | 4.9921 |
| logSw: | -4.6456 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.815 |
| InChI Key: | YCEXVSCYFBXORC-UHFFFAOYSA-N |