6-(azepane-1-sulfonyl)-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C534-0753 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C23 H33 N3 O5 S |
| Smiles: | CC1CC(C)CN(C1)C(CN1C(COc2ccc(cc12)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9143 |
| logD: | 2.9143 |
| logSw: | -3.5389 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.37 |
| InChI Key: | YYXYZZALCCGGRD-UHFFFAOYSA-N |