ethyl 1-{4-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
ethyl 1-{4-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V028-1802 |
| Compound Name: | ethyl 1-{4-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(methoxymethyl)pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate |
| Molecular Weight: | 607.75 |
| Molecular Formula: | C32 H38 F N5 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)C(c1ccc(CSc2nc(COC)cc(n2)N2CCN(CC2)c2ccccc2F)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9542 |
| logD: | 4.954 |
| logSw: | -4.6802 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.457 |
| InChI Key: | XBOAXTDZUWZMNG-UHFFFAOYSA-N |