8-ethyl-5-oxo-2-{4-[(pyridine-3-carbonyl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Chemical Structure Depiction of
8-ethyl-5-oxo-2-{4-[(pyridine-3-carbonyl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
8-ethyl-5-oxo-2-{4-[(pyridine-3-carbonyl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | 3368-0281 |
| Compound Name: | 8-ethyl-5-oxo-2-{4-[(pyridine-3-carbonyl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 467.51 |
| Molecular Formula: | C21 H21 N7 O4 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cnc(nc12)N1CCN(CC1)C(NC(c1cccnc1)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | -0.5096 |
| logD: | -2.6462 |
| logSw: | -1.8316 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.125 |
| InChI Key: | JJOLMGHFOPKPAR-UHFFFAOYSA-N |