7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0697 |
| Compound Name: | 7-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C26 H23 N3 O3 S |
| Smiles: | COc1ccccc1CN1C(c2ccc(cc2NC1=S)C(N1CCc2ccccc2C1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2283 |
| logD: | 4.2282 |
| logSw: | -4.2012 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.258 |
| InChI Key: | ZFIVZSKKRVRFFR-UHFFFAOYSA-N |