methyl 3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0231 |
| Compound Name: | methyl 3-[4-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxobutyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C23 H23 N3 O4 S |
| Smiles: | COC(c1ccc2C(N(CCCC(N3CCc4ccccc4C3)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1019 |
| logD: | 3.0978 |
| logSw: | -3.4986 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.524 |
| InChI Key: | XDCBNLGRELFQPT-UHFFFAOYSA-N |