N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-4-(pyrimidin-2-yl)piperazine-1-carboxamide
Chemical Structure Depiction of
N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-4-(pyrimidin-2-yl)piperazine-1-carboxamide
N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-4-(pyrimidin-2-yl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | Y043-6435 |
| Compound Name: | N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]-4-(pyrimidin-2-yl)piperazine-1-carboxamide |
| Molecular Weight: | 406.85 |
| Molecular Formula: | C18 H20 Cl F N6 O2 |
| Smiles: | C[C@@H](C(Nc1ccc(c(c1)[Cl])F)=O)NC(N1CCN(CC1)c1ncccn1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.86 |
| logD: | 2.8519 |
| logSw: | -3.5093 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.178 |
| InChI Key: | FIXMVGNGGXVVSL-LBPRGKRZSA-N |