7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0061071 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(4-fluorophenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C24 H18 F N3 O2 S |
| Smiles: | C1CN(Cc2ccccc12)C(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7141 |
| logD: | 3.7115 |
| logSw: | -4.0801 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.017 |
| InChI Key: | AMMIXTLSCHLYDL-UHFFFAOYSA-N |