4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(morpholine-4-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(morpholine-4-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(morpholine-4-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | E589-1517 |
| Compound Name: | 4-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(morpholine-4-sulfonyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C23 H25 N3 O6 S |
| Smiles: | C1CN(Cc2ccccc12)C(CN1C(COc2ccc(cc12)S(N1CCOCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4712 |
| logD: | 1.4712 |
| logSw: | -2.4436 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 79.742 |
| InChI Key: | AMJZRAAMIHSXGY-UHFFFAOYSA-N |