1-{3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-4-carboxamide
Chemical Structure Depiction of
1-{3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-4-carboxamide
1-{3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | A0061990 |
| Compound Name: | 1-{3-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperidine-4-carboxamide |
| Molecular Weight: | 510.92 |
| Molecular Formula: | C22 H18 Cl F3 N4 O3 S |
| Smiles: | C1CN(CCC1C(N)=O)C(c1ccc2C(N(C(Nc2c1)=S)c1cc(ccc1[Cl])C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5747 |
| logD: | 2.5707 |
| logSw: | -3.6703 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.113 |
| InChI Key: | VIMDOVLLJQSHOO-UHFFFAOYSA-N |