N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N~2~-methyl-N~2~-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)glycinamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N~2~-methyl-N~2~-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)glycinamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N~2~-methyl-N~2~-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)glycinamide
Compound characteristics
| Compound ID: | G938-0282 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N~2~-methyl-N~2~-(6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)glycinamide |
| Molecular Weight: | 472.56 |
| Molecular Formula: | C23 H28 N4 O5 S |
| Smiles: | Cc1cc2c(cc1S(N(C)CC(NCCN1CCc3ccccc3C1)=O)(=O)=O)OCC(N2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2066 |
| logD: | 0.8956 |
| logSw: | -2.4863 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.03 |
| InChI Key: | VJHROQGBKNXXAJ-UHFFFAOYSA-N |