6-(azepane-1-sulfonyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C534-0745 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C21 H30 N4 O5 S |
| Smiles: | CN1CCN(CC1)C(CN1C(COc2ccc(cc12)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8171 |
| logD: | 0.6864 |
| logSw: | -2.3795 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.979 |
| InChI Key: | AQCHDRRQPGUSJB-UHFFFAOYSA-N |