6-(azepane-1-sulfonyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E589-3825 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-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(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1618 |
| logD: | 0.9856 |
| logSw: | -2.5109 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 76.039 |
| InChI Key: | MIXAWTBDCVGRQZ-UHFFFAOYSA-N |