2-{4-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Chemical Structure Depiction of
2-{4-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
2-{4-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | 8015-6616 |
| Compound Name: | 2-{4-[(1,4-dimethoxy-1,4-dioxobutan-2-yl)carbamothioyl]piperazin-1-yl}-8-ethyl-5-oxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 506.54 |
| Molecular Formula: | C21 H26 N6 O7 S |
| Smiles: | CCN1C=C(C(O)=O)C(c2cnc(nc12)N1CCN(CC1)C(NC(CC(=O)OC)C(=O)OC)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.9362 |
| logD: | -3.0728 |
| logSw: | -2.2542 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.405 |
| InChI Key: | NDOGAZSYEIUYHB-AWEZNQCLSA-N |