2-(4-{[4-(benzyloxy)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-{[4-(benzyloxy)phenyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
2-(4-{[4-(benzyloxy)phenyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | 6425-0044 |
| Compound Name: | 2-(4-{[4-(benzyloxy)phenyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 544.63 |
| Molecular Formula: | C28 H28 N6 O4 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cnc(nc12)N1CCN(CC1)C(Nc1ccc(cc1)OCc1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7291 |
| logD: | 0.5925 |
| logSw: | -3.3865 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.656 |
| InChI Key: | QSIDZUBYHBSBPU-UHFFFAOYSA-N |