ethyl 1-[3-({[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-({[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
ethyl 1-[3-({[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V003-2178 |
| Compound Name: | ethyl 1-[3-({[4-tert-butyl-6-(diethylamino)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate |
| Molecular Weight: | 512.71 |
| Molecular Formula: | C28 H40 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCN(CC)c1cc(C(C)(C)C)nc(n1)SCc1cccc(c1)C(N1CCC(CC1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7177 |
| logD: | 5.7171 |
| logSw: | -5.4041 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.862 |
| InChI Key: | QVVVIHNVLXUBKE-UHFFFAOYSA-N |