8-ethyl-2-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Chemical Structure Depiction of
8-ethyl-2-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
8-ethyl-2-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | 8013-1296 |
| Compound Name: | 8-ethyl-2-(4-{[4-(methoxycarbonyl)phenyl]carbamothioyl}piperazin-1-yl)-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 496.54 |
| Molecular Formula: | C23 H24 N6 O5 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cnc(nc12)N1CCN(CC1)C(Nc1ccc(cc1)C(=O)OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4055 |
| logD: | -0.7311 |
| logSw: | -2.522 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.602 |
| InChI Key: | UFKDJDJWDZMNEY-UHFFFAOYSA-N |