3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0056 |
| Compound Name: | 3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 331.43 |
| Molecular Formula: | C17 H21 N3 O2 S |
| Smiles: | CCC1CCCCN1C(CN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5416 |
| logD: | 2.541 |
| logSw: | -3.0446 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.357 |
| InChI Key: | NQSVQDTYOYYLSF-LBPRGKRZSA-N |