ethyl 1-[4-({[4-ethyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-({[4-ethyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
ethyl 1-[4-({[4-ethyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | V016-3999 |
| Compound Name: | ethyl 1-[4-({[4-ethyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-3-carboxylate |
| Molecular Weight: | 482.64 |
| Molecular Formula: | C26 H34 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(cc1)C(N1CCCC(C1)C(=O)OCC)=O)N1CCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.561 |
| logD: | 4.5606 |
| logSw: | -4.3585 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.373 |
| InChI Key: | NJJUTTRHXWIJCN-NRFANRHFSA-N |