7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0060891 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(2-phenylethyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C26 H23 N3 O2 S |
| Smiles: | C(CN1C(c2ccc(cc2NC1=S)C(N1CCc2ccccc2C1)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3754 |
| logD: | 4.3739 |
| logSw: | -4.3071 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.606 |
| InChI Key: | OYAMGEVRLNBHOW-UHFFFAOYSA-N |