ethyl 1-{5-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{5-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperidine-4-carboxylate
ethyl 1-{5-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | V024-8224 |
| Compound Name: | ethyl 1-{5-[({4-[4-(2-fluorophenyl)piperazin-1-yl]-6-(propan-2-yl)pyrimidin-2-yl}sulfanyl)methyl]furan-2-carbonyl}piperidine-4-carboxylate |
| Molecular Weight: | 595.74 |
| Molecular Formula: | C31 H38 F N5 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(C1CCN(CC1)C(c1ccc(CSc2nc(cc(n2)N2CCN(CC2)c2ccccc2F)C(C)C)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5029 |
| logD: | 6.5026 |
| logSw: | -5.5663 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.379 |
| InChI Key: | UKLPKAZLFFIHKJ-UHFFFAOYSA-N |