8-ethyl-5-oxo-2-{4-[(4-sulfamoylphenyl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Chemical Structure Depiction of
8-ethyl-5-oxo-2-{4-[(4-sulfamoylphenyl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
8-ethyl-5-oxo-2-{4-[(4-sulfamoylphenyl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | 8016-7537 |
| Compound Name: | 8-ethyl-5-oxo-2-{4-[(4-sulfamoylphenyl)carbamothioyl]piperazin-1-yl}-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 517.58 |
| Molecular Formula: | C21 H23 N7 O5 S2 |
| Smiles: | CCN1C=C(C(O)=O)C(c2cnc(nc12)N1CCN(CC1)C(Nc1ccc(cc1)S(N)(=O)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | -0.3247 |
| logD: | -2.4613 |
| logSw: | -2.3774 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 128.031 |
| InChI Key: | NPXZEMYFXLSPDK-UHFFFAOYSA-N |