N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Compound characteristics
| Compound ID: | G938-0086 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N,6-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C21 H23 N3 O5 S |
| Smiles: | Cc1cc2c(cc1S(N(C)CC(N1CCc3ccccc3C1)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5661 |
| logD: | 1.5656 |
| logSw: | -2.6724 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.127 |
| InChI Key: | CAZGUDFLRUFRCQ-UHFFFAOYSA-N |