1-(3-methylphenyl)-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid
Chemical Structure Depiction of
1-(3-methylphenyl)-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid
1-(3-methylphenyl)-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid
Compound characteristics
| Compound ID: | Y504-7769 |
| Compound Name: | 1-(3-methylphenyl)-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylic acid |
| Molecular Weight: | 434.43 |
| Molecular Formula: | C21 H14 N4 O5 S |
| Smiles: | Cc1cccc(c1)N1C(=NC(c2c(cc(c3cccc(c3)[N+]([O-])=O)nc12)C(O)=O)=O)S |
| Stereo: | ACHIRAL |
| logP: | 4.4978 |
| logD: | -2.8614 |
| logSw: | -4.4994 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.092 |
| InChI Key: | XKSXCDSBDZGTCF-UHFFFAOYSA-N |