4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C534-0602 |
| Compound Name: | 4-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 486.55 |
| Molecular Formula: | C22 H26 N6 O5 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)N(CC(N1CCN(CC1)c1ncccn1)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9725 |
| logD: | 0.9725 |
| logSw: | -2.4401 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 94.16 |
| InChI Key: | IZCHIOSJCIWCKA-UHFFFAOYSA-N |