4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E557-0369 |
| Compound Name: | 4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C25 H30 N4 O5 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)N(CC(N1CCN(CC1)Cc1ccccc1)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4889 |
| logD: | 1.4735 |
| logSw: | -2.4311 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.078 |
| InChI Key: | OBFMAWRUXUJKMB-UHFFFAOYSA-N |