ethyl 1-{3-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
ethyl 1-{3-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V001-9478 |
| Compound Name: | ethyl 1-{3-[({4-[benzyl(methyl)amino]-6-tert-butylpyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate |
| Molecular Weight: | 560.76 |
| Molecular Formula: | C32 H40 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)C(c1cccc(CSc2nc(cc(n2)N(C)Cc2ccccc2)C(C)(C)C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4497 |
| logD: | 6.3822 |
| logSw: | -5.5796 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.08 |
| InChI Key: | WJCKKTBEJVOHFY-UHFFFAOYSA-N |