3-[3-(4-benzylpiperazine-1-carbonyl)phenyl]-7-chloro-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[3-(4-benzylpiperazine-1-carbonyl)phenyl]-7-chloro-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[3-(4-benzylpiperazine-1-carbonyl)phenyl]-7-chloro-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0839 |
| Compound Name: | 3-[3-(4-benzylpiperazine-1-carbonyl)phenyl]-7-chloro-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 491.01 |
| Molecular Formula: | C26 H23 Cl N4 O2 S |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(c1cccc(c1)N1C(c2ccc(cc2NC1=S)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6212 |
| logD: | 3.244 |
| logSw: | -4.0883 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.895 |
| InChI Key: | XQIUKJPRUJGQSZ-UHFFFAOYSA-N |