N-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-(pyridin-2-yl)piperazine-1-carboxamide
Chemical Structure Depiction of
N-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-(pyridin-2-yl)piperazine-1-carboxamide
N-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-(pyridin-2-yl)piperazine-1-carboxamide
Compound characteristics
| Compound ID: | IB08-9699 |
| Compound Name: | N-{2-[3-(methylsulfanyl)anilino]-2-oxoethyl}-4-(pyridin-2-yl)piperazine-1-carboxamide |
| Molecular Weight: | 385.49 |
| Molecular Formula: | C19 H23 N5 O2 S |
| Smiles: | CSc1cccc(c1)NC(CNC(N1CCN(CC1)c1ccccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.79 |
| logD: | 2.65 |
| logSw: | -3.53 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 129.77 |
| InChI Key: | LERDKYYXHDNXJV-UHFFFAOYSA-N |