3-[(4-chlorophenyl)methyl]-7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(4-chlorophenyl)methyl]-7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0922 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-7-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 525.46 |
| Molecular Formula: | C26 H22 Cl2 N4 O2 S |
| Smiles: | C1CN(CCN1C(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.2206 |
| logD: | 5.2205 |
| logSw: | -5.6077 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.227 |
| InChI Key: | NELJTRPYBMMPAT-UHFFFAOYSA-N |