2-{4-[(2-bromobenzoyl)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-bromobenzoyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
2-{4-[(2-bromobenzoyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | 8012-3582 |
| Compound Name: | 2-{4-[(2-bromobenzoyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 545.41 |
| Molecular Formula: | C22 H21 Br N6 O4 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cnc(nc12)N1CCN(CC1)C(NC(c1ccccc1[Br])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9877 |
| logD: | -1.1489 |
| logSw: | -2.5419 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.607 |
| InChI Key: | HZVOCKRSQPVLMF-UHFFFAOYSA-N |