ethyl 1-[3-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
ethyl 1-[3-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V026-4462 |
| Compound Name: | ethyl 1-[3-({[4-tert-butyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate |
| Molecular Weight: | 510.7 |
| Molecular Formula: | C28 H38 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCCN(C1)C(c1cccc(CSc2nc(cc(n2)N2CCCC2)C(C)(C)C)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5906 |
| logD: | 5.59 |
| logSw: | -5.3255 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.877 |
| InChI Key: | NFKYLSFEKNWXNS-QFIPXVFZSA-N |