4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0937 |
| Compound Name: | 4-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 529.57 |
| Molecular Formula: | C24 H27 N5 O7 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)N(CC(N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.855 |
| logD: | 1.855 |
| logSw: | -2.7585 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 109.179 |
| InChI Key: | QSUJOCZDUYLCSL-UHFFFAOYSA-N |