methyl 3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0093 |
| Compound Name: | methyl 3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 409.46 |
| Molecular Formula: | C21 H19 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(CC(N3CCc4ccccc4C3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8414 |
| logD: | 2.8391 |
| logSw: | -3.5261 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.546 |
| InChI Key: | OJGXRLGRHOOAKN-UHFFFAOYSA-N |