3-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-3171 |
| Compound Name: | 3-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 359.49 |
| Molecular Formula: | C19 H25 N3 O2 S |
| Smiles: | CC1CC(C)CN(C1)C(CCCN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9694 |
| logD: | 2.9682 |
| logSw: | -3.5907 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.556 |
| InChI Key: | OKVHEWLZUHCTRI-UHFFFAOYSA-N |