7-chloro-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-chloro-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
7-chloro-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0790 |
| Compound Name: | 7-chloro-3-[3-(4-phenylpiperazine-1-carbonyl)phenyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 476.98 |
| Molecular Formula: | C25 H21 Cl N4 O2 S |
| Smiles: | C1CN(CCN1C(c1cccc(c1)N1C(c2ccc(cc2NC1=S)[Cl])=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.9402 |
| logD: | 3.5629 |
| logSw: | -4.3935 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.615 |
| InChI Key: | GJJGETTYYGJXSA-UHFFFAOYSA-N |