6-chloro-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Chemical Structure Depiction of
6-chloro-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
6-chloro-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
Compound characteristics
| Compound ID: | G938-0872 |
| Compound Name: | 6-chloro-N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-N-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide |
| Molecular Weight: | 449.91 |
| Molecular Formula: | C20 H20 Cl N3 O5 S |
| Smiles: | CN(CC(N1CCc2ccccc2C1)=O)S(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8256 |
| logD: | 1.7671 |
| logSw: | -2.9352 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.127 |
| InChI Key: | PCXHBXMULYXSSF-UHFFFAOYSA-N |