7-(2H-1,3-benzodioxol-5-yl)-1-ethyl-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid
Chemical Structure Depiction of
7-(2H-1,3-benzodioxol-5-yl)-1-ethyl-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid
7-(2H-1,3-benzodioxol-5-yl)-1-ethyl-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid
Compound characteristics
| Compound ID: | Y504-7962 |
| Compound Name: | 7-(2H-1,3-benzodioxol-5-yl)-1-ethyl-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid |
| Molecular Weight: | 371.37 |
| Molecular Formula: | C17 H13 N3 O5 S |
| Smiles: | CCN1C(=NC(c2c(cc(c3ccc4c(c3)OCO4)nc12)C(O)=O)=O)S |
| Stereo: | ACHIRAL |
| logP: | 3.1496 |
| logD: | -3.7964 |
| logSw: | -3.1883 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.434 |
| InChI Key: | PRQCDYKQHWTGQU-UHFFFAOYSA-N |