2-{4-[(2-bromo-4-methylphenyl)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-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
2-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | 6425-0030 |
| Compound Name: | 2-{4-[(2-bromo-4-methylphenyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 531.43 |
| Molecular Formula: | C22 H23 Br N6 O3 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cnc(nc12)N1CCN(CC1)C(Nc1ccc(C)cc1[Br])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4398 |
| logD: | 0.3032 |
| logSw: | -2.8507 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.731 |
| InChI Key: | QOXMPRQRUNXTAX-UHFFFAOYSA-N |