3-[(2-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(2-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(2-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0824 |
| Compound Name: | 3-[(2-methoxyphenyl)methyl]-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C27 H26 N4 O3 S |
| Smiles: | COc1ccccc1CN1C(c2ccc(cc2NC1=S)C(N1CCN(CC1)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9943 |
| logD: | 3.9941 |
| logSw: | -4.2015 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.857 |
| InChI Key: | HTQPHWNPKRWFSY-UHFFFAOYSA-N |