4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0180 |
| Compound Name: | 4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 464.58 |
| Molecular Formula: | C22 H32 N4 O5 S |
| Smiles: | CCN1CCN(CC1)C(CN1C(COc2ccc(cc12)S(N1CCC(C)CC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1399 |
| logD: | 0.9637 |
| logSw: | -2.532 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.708 |
| InChI Key: | PKUPKPZVFDGQCF-UHFFFAOYSA-N |