methyl 3-[2-(3,4-dihydroquinolin-1(2H)-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 3-[2-(3,4-dihydroquinolin-1(2H)-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
methyl 3-[2-(3,4-dihydroquinolin-1(2H)-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | F207-0080 |
| Compound Name: | methyl 3-[2-(3,4-dihydroquinolin-1(2H)-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(CCN3CCCc4ccccc34)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1054 |
| logD: | 4.0868 |
| logSw: | -4.1933 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.283 |
| InChI Key: | WILHUWAGNXNANB-UHFFFAOYSA-N |