N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxo-1-phenylethyl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxo-1-phenylethyl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxo-1-phenylethyl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide
Compound characteristics
| Compound ID: | C597-0395 |
| Compound Name: | N-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxo-1-phenylethyl]-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide |
| Molecular Weight: | 518.59 |
| Molecular Formula: | C27 H26 N4 O5 S |
| Smiles: | CN1C(c2cc(ccc2N(C)C1=O)S(NC(C(N1CCc2ccccc2C1)=O)c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1619 |
| logD: | 3.13 |
| logSw: | -3.7352 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.975 |
| InChI Key: | LGTFKBJXOBXXQS-XMMPIXPASA-N |