3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(piperidine-1-sulfonyl)-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(piperidine-1-sulfonyl)-1,3-benzoxazol-2(3H)-one
3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(piperidine-1-sulfonyl)-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | C732-0063 |
| Compound Name: | 3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(piperidine-1-sulfonyl)-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 455.53 |
| Molecular Formula: | C23 H25 N3 O5 S |
| Smiles: | C1CCN(CC1)S(c1ccc2c(c1)OC(N2CC(N1CCc2ccccc2C1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7162 |
| logD: | 2.7162 |
| logSw: | -3.45 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.832 |
| InChI Key: | VEEUQYYYKUVIHD-UHFFFAOYSA-N |