4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Chemical Structure Depiction of
4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide
Compound characteristics
| Compound ID: | C534-0191 |
| Compound Name: | 4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N,N-diethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C23 H27 N3 O5 S |
| Smiles: | CCN(CC)S(c1ccc2c(c1)N(CC(N1CCc3ccccc3C1)=O)C(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2876 |
| logD: | 2.2876 |
| logSw: | -2.8264 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 71.219 |
| InChI Key: | OIJQYLPCTJRELJ-UHFFFAOYSA-N |