6-chloro-7-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
6-chloro-7-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
6-chloro-7-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E511-0584 |
| Compound Name: | 6-chloro-7-[3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropane-1-sulfonyl]-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 434.9 |
| Molecular Formula: | C20 H19 Cl N2 O5 S |
| Smiles: | C(CS(c1cc2c(cc1[Cl])NC(CO2)=O)(=O)=O)C(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9693 |
| logD: | 1.9478 |
| logSw: | -2.972 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.328 |
| InChI Key: | TYOFEQSKPGKIQF-UHFFFAOYSA-N |