3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7563 |
| Compound Name: | 3-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phenyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 365.45 |
| Molecular Formula: | C20 H19 N3 O2 S |
| Smiles: | C1CCN(C1)C(Cc1ccc(cc1)N1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8404 |
| logD: | 2.8346 |
| logSw: | -3.6137 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.193 |
| InChI Key: | BVKLDEZRXVEIIM-UHFFFAOYSA-N |