3-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | C270-0444 |
| Compound Name: | 3-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 400.93 |
| Molecular Formula: | C20 H21 Cl N4 O S |
| Smiles: | C1CN(CCN1CCN1C(c2ccccc2NC1=S)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7431 |
| logD: | 3.6894 |
| logSw: | -4.204 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.539 |
| InChI Key: | TYVTZLRLUBELQH-UHFFFAOYSA-N |