7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0060951 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-(2,4-dimethoxyphenyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C26 H23 N3 O4 S |
| Smiles: | COc1ccc(c(c1)OC)N1C(c2ccc(cc2NC1=S)C(N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7701 |
| logD: | 3.7694 |
| logSw: | -3.9746 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.89 |
| InChI Key: | DJFHGCQVCXYFFE-UHFFFAOYSA-N |