6-(azepane-1-sulfonyl)-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,3-benzoxazol-2(3H)-one
6-(azepane-1-sulfonyl)-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | C989-0317 |
| Compound Name: | 6-(azepane-1-sulfonyl)-3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C24 H27 N3 O5 S |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)OC(N2CC(N1CCc2ccccc2C1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2121 |
| logD: | 3.2121 |
| logSw: | -3.7102 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.163 |
| InChI Key: | MVSYHQFQIYZFMP-UHFFFAOYSA-N |