6-(morpholine-4-sulfonyl)-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(morpholine-4-sulfonyl)-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
6-(morpholine-4-sulfonyl)-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0720 |
| Compound Name: | 6-(morpholine-4-sulfonyl)-4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 545.57 |
| Molecular Formula: | C24 H27 N5 O8 S |
| Smiles: | C1CN(CCN1C(CN1C(COc2ccc(cc12)S(N1CCOCC1)(=O)=O)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.1961 |
| logD: | 1.1961 |
| logSw: | -2.5608 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 116.722 |
| InChI Key: | LWOIBFXKWPXQFF-UHFFFAOYSA-N |