6-(azepane-1-sulfonyl)-4-[2-(azepan-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-[2-(azepan-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-[2-(azepan-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E589-3740 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-[2-(azepan-1-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C22 H31 N3 O5 S |
| Smiles: | C1CCCN(CC1)C(CN1C(COc2ccc(cc12)S(N1CCCCCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4949 |
| logD: | 2.4949 |
| logSw: | -2.8686 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.834 |
| InChI Key: | QMSRJEHQEBULMX-UHFFFAOYSA-N |