3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0061140 |
| Compound Name: | 3-[2-chloro-5-(trifluoromethyl)phenyl]-7-(pyrrolidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 453.87 |
| Molecular Formula: | C20 H15 Cl F3 N3 O2 S |
| Smiles: | C1CCN(C1)C(c1ccc2C(N(C(Nc2c1)=S)c1cc(ccc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9077 |
| logD: | 3.9037 |
| logSw: | -4.4262 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.42 |
| InChI Key: | OXIFITHCVFSQNZ-UHFFFAOYSA-N |