6-(azepane-1-sulfonyl)-4-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-1210 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-(2-oxo-2-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 616.73 |
| Molecular Formula: | C30 H40 N4 O8 S |
| Smiles: | COc1ccc(CN2CCN(CC2)C(CN2C(COc3ccc(cc23)S(N2CCCCCC2)(=O)=O)=O)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 2.2631 |
| logD: | 2.0626 |
| logSw: | -2.932 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 99.108 |
| InChI Key: | XWXIKQPRCUKBKM-UHFFFAOYSA-N |