2-{4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Chemical Structure Depiction of
2-{4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
2-{4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | 8013-1293 |
| Compound Name: | 2-{4-[(2,5-dimethoxyphenyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 498.56 |
| Molecular Formula: | C23 H26 N6 O5 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cnc(nc12)N1CCN(CC1)C(Nc1cc(ccc1OC)OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3418 |
| logD: | -0.7948 |
| logSw: | -2.6094 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.905 |
| InChI Key: | TYBGRLDKZJKQMJ-UHFFFAOYSA-N |