5-({[4-(4-acetylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-2-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
5-({[4-(4-acetylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-2-yl)methyl]furan-2-carboxamide
5-({[4-(4-acetylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-2-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | V027-3233 |
| Compound Name: | 5-({[4-(4-acetylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-2-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 513.54 |
| Molecular Formula: | C22 H26 F3 N5 O4 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)c1cc(C(F)(F)F)nc(n1)SCc1ccc(C(NCC2CCCO2)=O)o1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9749 |
| logD: | 2.9749 |
| logSw: | -3.2577 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.281 |
| InChI Key: | LHKRKGPDHYKCRN-OAHLLOKOSA-N |