N-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-(pyrimidin-2-yl)piperazine-1-carboxamide
Chemical Structure Depiction of
N-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-(pyrimidin-2-yl)piperazine-1-carboxamide
N-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-(pyrimidin-2-yl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | Y043-6438 |
| Compound Name: | N-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-(pyrimidin-2-yl)piperazine-1-carboxamide |
| Molecular Weight: | 386.47 |
| Molecular Formula: | C18 H22 N6 O2 S |
| Smiles: | CSc1cccc(c1)NC(CNC(N1CCN(CC1)c1ncccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2904 |
| logD: | 2.2903 |
| logSw: | -3.0109 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.802 |
| InChI Key: | XXEZKXFDNPHOSV-UHFFFAOYSA-N |