2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(methylsulfanyl)-1-(4-phenylpiperidin-1-yl)butan-1-one
Chemical Structure Depiction of
2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(methylsulfanyl)-1-(4-phenylpiperidin-1-yl)butan-1-one
2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(methylsulfanyl)-1-(4-phenylpiperidin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | IB08-5211 |
| Compound Name: | 2-[(4,6-dimethylpyrimidin-2-yl)amino]-4-(methylsulfanyl)-1-(4-phenylpiperidin-1-yl)butan-1-one |
| Molecular Weight: | 398.57 |
| Molecular Formula: | C22 H30 N4 O S |
| Smiles: | Cc1cc(C)nc(NC(CCSC)C(N2CCC(CC2)c2ccccc2)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.71 |
| logD: | 3.7 |
| logSw: | -4.23 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 117.38 |
| InChI Key: | RZVDCCXJCIHIEY-FQEVSTJZSA-N |