1-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl]piperidine-4-carboxamide
1-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | A0061814 |
| Compound Name: | 1-[3-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl]piperidine-4-carboxamide |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C21 H19 F N4 O3 S |
| Smiles: | C1CN(CCC1C(N)=O)C(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2244 |
| logD: | 1.2218 |
| logSw: | -2.4235 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.414 |
| InChI Key: | FEAUVGXCYYZRLL-UHFFFAOYSA-N |