3-[(4-chlorophenyl)methyl]-7-(4-ethylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-7-(4-ethylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(4-chlorophenyl)methyl]-7-(4-ethylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0611 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-7-(4-ethylpiperazine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 442.97 |
| Molecular Formula: | C22 H23 Cl N4 O2 S |
| Smiles: | CCN1CCN(CC1)C(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1645 |
| logD: | 2.9882 |
| logSw: | -3.6506 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.503 |
| InChI Key: | TXUKGWLEMINLEJ-UHFFFAOYSA-N |