3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0291 |
| Compound Name: | 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 393.51 |
| Molecular Formula: | C22 H23 N3 O2 S |
| Smiles: | C1CN(CCC1Cc1ccccc1)C(CN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7643 |
| logD: | 3.7637 |
| logSw: | -4.1914 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.439 |
| InChI Key: | DHVKBHCQLQFSLW-UHFFFAOYSA-N |