2-(4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Chemical Structure Depiction of
2-(4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
2-(4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | 8013-1295 |
| Compound Name: | 2-(4-{[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 540.95 |
| Molecular Formula: | C22 H20 Cl F3 N6 O3 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cnc(nc12)N1CCN(CC1)C(Nc1cc(ccc1[Cl])C(F)(F)F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8834 |
| logD: | 0.7468 |
| logSw: | -3.4869 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.731 |
| InChI Key: | DRXFINWUDHTIEI-UHFFFAOYSA-N |