3-[4-oxo-4-(piperidin-1-yl)butyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[4-oxo-4-(piperidin-1-yl)butyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[4-oxo-4-(piperidin-1-yl)butyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-2391 |
| Compound Name: | 3-[4-oxo-4-(piperidin-1-yl)butyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 331.43 |
| Molecular Formula: | C17 H21 N3 O2 S |
| Smiles: | C1CCN(CC1)C(CCCN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0541 |
| logD: | 2.053 |
| logSw: | -2.9577 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.689 |
| InChI Key: | JFPCTOBGPTXETR-UHFFFAOYSA-N |