2-{4-[(6-chloropyridine-3-carbonyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Chemical Structure Depiction of
2-{4-[(6-chloropyridine-3-carbonyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
2-{4-[(6-chloropyridine-3-carbonyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | 8013-2248 |
| Compound Name: | 2-{4-[(6-chloropyridine-3-carbonyl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 501.95 |
| Molecular Formula: | C21 H20 Cl N7 O4 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cnc(nc12)N1CCN(CC1)C(NC(c1ccc(nc1)[Cl])=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2754 |
| logD: | -1.8612 |
| logSw: | -2.8438 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.612 |
| InChI Key: | AQEQAKFDBVLBEZ-UHFFFAOYSA-N |