6-(azepane-1-sulfonyl)-4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-1219 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 540.68 |
| Molecular Formula: | C28 H36 N4 O5 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(CN1C(COc2ccc(cc12)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7579 |
| logD: | 3.7578 |
| logSw: | -3.9423 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.462 |
| InChI Key: | DEOJPMYMFLQCBX-UHFFFAOYSA-N |