3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0519 |
| Compound Name: | 3-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 428.94 |
| Molecular Formula: | C21 H21 Cl N4 O2 S |
| Smiles: | C(CN1C(c2ccccc2NC1=S)=O)C(N1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2668 |
| logD: | 3.2654 |
| logSw: | -3.8381 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.949 |
| InChI Key: | VZTHDJWWDFCTQN-UHFFFAOYSA-N |