2-{4-[(3,4-difluorobenzoyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Chemical Structure Depiction of
2-{4-[(3,4-difluorobenzoyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
2-{4-[(3,4-difluorobenzoyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | 5182-3420 |
| Compound Name: | 2-{4-[(3,4-difluorobenzoyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 502.5 |
| Molecular Formula: | C22 H20 F2 N6 O4 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cnc(nc12)N1CCN(CC1)C(NC(c1ccc(c(c1)F)F)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0548 |
| logD: | -1.0818 |
| logSw: | -2.5588 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.607 |
| InChI Key: | HREGVEAJKXHWDN-UHFFFAOYSA-N |