3-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{4-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0789 |
| Compound Name: | 3-{4-[4-(3-chlorophenyl)piperazine-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(c1ccc(cc1)N1C(c2ccccc2NC1=S)=O)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.999 |
| logD: | 3.9931 |
| logSw: | -4.3733 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.615 |
| InChI Key: | IODNXMINQUMOAB-UHFFFAOYSA-N |