N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Chemical Structure Depiction of
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Compound characteristics
| Compound ID: | G805-0530 |
| Compound Name: | N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C21 H25 N3 O4 S |
| Smiles: | Cc1cc2c(cc1S(NCCCN1CCc3ccccc3C1)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2937 |
| logD: | 1.5108 |
| logSw: | -2.9161 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.753 |
| InChI Key: | SQENBKVNCUUAON-UHFFFAOYSA-N |