6-(azepane-1-sulfonyl)-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-1218 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 542.65 |
| Molecular Formula: | C27 H34 N4 O6 S |
| Smiles: | COc1ccccc1N1CCN(CC1)C(CN1C(COc2ccc(cc12)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.635 |
| logD: | 2.6346 |
| logSw: | -3.1351 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.092 |
| InChI Key: | NBDXSHIVAFDSIH-UHFFFAOYSA-N |