ethyl 1-[4-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-[4-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
ethyl 1-[4-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V014-4364 |
| Compound Name: | ethyl 1-[4-({[4-(methoxymethyl)-6-(pyrrolidin-1-yl)pyrimidin-2-yl]sulfanyl}methyl)benzoyl]piperidine-4-carboxylate |
| Molecular Weight: | 498.64 |
| Molecular Formula: | C26 H34 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)C(c1ccc(CSc2nc(COC)cc(n2)N2CCCC2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7051 |
| logD: | 3.7049 |
| logSw: | -3.8376 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.863 |
| InChI Key: | LYJJKFNEASULDZ-UHFFFAOYSA-N |