6-(azepane-1-sulfonyl)-4-[2-([1,4'-bipiperidin]-1'-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-4-[2-([1,4'-bipiperidin]-1'-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
6-(azepane-1-sulfonyl)-4-[2-([1,4'-bipiperidin]-1'-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | C700-0981 |
| Compound Name: | 6-(azepane-1-sulfonyl)-4-[2-([1,4'-bipiperidin]-1'-yl)-2-oxoethyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 518.68 |
| Molecular Formula: | C26 H38 N4 O5 S |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)N(CC(N1CCC(CC1)N1CCCCC1)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3475 |
| logD: | -1.2081 |
| logSw: | -2.845 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.596 |
| InChI Key: | WBBYFBGKYHQMAY-UHFFFAOYSA-N |