8-ethyl-5-oxo-2-(4-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Chemical Structure Depiction of
8-ethyl-5-oxo-2-(4-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
8-ethyl-5-oxo-2-(4-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | Y512-4852 |
| Compound Name: | 8-ethyl-5-oxo-2-(4-{[3-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 506.51 |
| Molecular Formula: | C22 H21 F3 N6 O3 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cnc(nc12)N1CCN(CC1)C(Nc1cccc(c1)C(F)(F)F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.358 |
| logD: | 0.2214 |
| logSw: | -3.024 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.43 |
| InChI Key: | USYVBPXJSBDUTJ-UHFFFAOYSA-N |