4-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0946 |
| Compound Name: | 4-{2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl}-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 502.55 |
| Molecular Formula: | C23 H26 N4 O7 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)N(CC(N1CCN(CC1)C(c1ccco1)=O)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3807 |
| logD: | 0.3807 |
| logSw: | -2.1788 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 97.572 |
| InChI Key: | YPBCUBQGSBNTJC-UHFFFAOYSA-N |