methyl 3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0081 |
| Compound Name: | methyl 3-[2-(3,4-dihydroisoquinolin-2(1H)-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | COC(c1ccc2C(N(CCN3CCc4ccccc4C3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5756 |
| logD: | 3.3474 |
| logSw: | -3.7487 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.114 |
| InChI Key: | VOHPIBRCTNCZGC-UHFFFAOYSA-N |