2-(4-{[3-(ethoxycarbonyl)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-{[3-(ethoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
2-(4-{[3-(ethoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | 6425-0043 |
| Compound Name: | 2-(4-{[3-(ethoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 510.57 |
| Molecular Formula: | C24 H26 N6 O5 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cnc(nc12)N1CCN(CC1)C(Nc1cccc(c1)C(=O)OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0968 |
| logD: | -0.0398 |
| logSw: | -2.9605 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.182 |
| InChI Key: | CWULQULDCAFHBO-UHFFFAOYSA-N |