3-[6-oxo-6-(pyrrolidin-1-yl)hexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[6-oxo-6-(pyrrolidin-1-yl)hexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[6-oxo-6-(pyrrolidin-1-yl)hexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-0898 |
| Compound Name: | 3-[6-oxo-6-(pyrrolidin-1-yl)hexyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 345.46 |
| Molecular Formula: | C18 H23 N3 O2 S |
| Smiles: | C(CCC(N1CCCC1)=O)CCN1C(c2ccccc2NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8452 |
| logD: | 2.8441 |
| logSw: | -3.5613 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.055 |
| InChI Key: | HDEDXYFQCZCXBJ-UHFFFAOYSA-N |