6-(azepane-1-sulfonyl)-4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-1216 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-{2-[4-(2,5-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: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CN1C(COc2ccc(cc12)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7922 |
| logD: | 3.7921 |
| logSw: | -3.9165 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.462 |
| InChI Key: | MDSAVDNZINVPBW-UHFFFAOYSA-N |