N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N~2~-methylglycinamide
Chemical Structure Depiction of
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N~2~-methylglycinamide
N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N~2~-methylglycinamide
Compound characteristics
| Compound ID: | G938-1068 |
| Compound Name: | N~2~-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonyl)-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-N~2~-methylglycinamide |
| Molecular Weight: | 492.98 |
| Molecular Formula: | C22 H25 Cl N4 O5 S |
| Smiles: | CN(CC(NCCN1CCc2ccccc2C1)=O)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4661 |
| logD: | 1.1551 |
| logSw: | -2.8808 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.03 |
| InChI Key: | UUCLLBZAEMBRMY-UHFFFAOYSA-N |