ethyl 1-{4-[({4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{4-[({4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
ethyl 1-{4-[({4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V027-8337 |
| Compound Name: | ethyl 1-{4-[({4-ethyl-6-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl}sulfanyl)methyl]benzoyl}piperidine-4-carboxylate |
| Molecular Weight: | 603.78 |
| Molecular Formula: | C33 H41 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(cc1)C(N1CCC(CC1)C(=O)OCC)=O)N1CCN(CC1)c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.6994 |
| logD: | 5.699 |
| logSw: | -5.3837 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.877 |
| InChI Key: | DHHVIOGSYMUTRV-UHFFFAOYSA-N |