6-(4-methylpiperidine-1-sulfonyl)-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(4-methylpiperidine-1-sulfonyl)-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
6-(4-methylpiperidine-1-sulfonyl)-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0223 |
| Compound Name: | 6-(4-methylpiperidine-1-sulfonyl)-4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C24 H30 N6 O5 S |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)N(CC(N1CCN(CC1)c1ncccn1)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.777 |
| logD: | 1.777 |
| logSw: | -2.7007 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.794 |
| InChI Key: | ZSOJXIURVIFAKP-UHFFFAOYSA-N |