N-[(2S)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-4-(pyrimidin-2-yl)piperazine-1-carboxamide
Chemical Structure Depiction of
N-[(2S)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-4-(pyrimidin-2-yl)piperazine-1-carboxamide
N-[(2S)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-4-(pyrimidin-2-yl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | Y044-5230 |
| Compound Name: | N-[(2S)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-4-(pyrimidin-2-yl)piperazine-1-carboxamide |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C20 H25 F N6 O2 |
| Smiles: | CC(C)[C@@H](C(Nc1ccc(cc1)F)=O)NC(N1CCN(CC1)c1ncccn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6284 |
| logD: | 2.628 |
| logSw: | -3.1655 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.367 |
| InChI Key: | ISWVBKWMGRXJAK-KRWDZBQOSA-N |