7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinazolin-4(1H)-one
7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0061080 |
| Compound Name: | 7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 419.42 |
| Molecular Formula: | C20 H16 F3 N3 O2 S |
| Smiles: | C1CCN(C1)C(c1ccc2C(N(C(Nc2c1)=S)c1cccc(c1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.385 |
| logD: | 3.3845 |
| logSw: | -3.8623 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.721 |
| InChI Key: | MQMVSUGDIFPXSA-UHFFFAOYSA-N |