8-ethyl-2-{4-[(3-fluorobenzoyl)carbamothioyl]piperazin-1-yl}-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Chemical Structure Depiction of
8-ethyl-2-{4-[(3-fluorobenzoyl)carbamothioyl]piperazin-1-yl}-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
8-ethyl-2-{4-[(3-fluorobenzoyl)carbamothioyl]piperazin-1-yl}-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | 8013-1335 |
| Compound Name: | 8-ethyl-2-{4-[(3-fluorobenzoyl)carbamothioyl]piperazin-1-yl}-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 484.51 |
| Molecular Formula: | C22 H21 F N6 O4 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cnc(nc12)N1CCN(CC1)C(NC(c1cccc(c1)F)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8011 |
| logD: | -1.3355 |
| logSw: | -2.5453 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.607 |
| InChI Key: | GGUBBWGJISJJSH-UHFFFAOYSA-N |