methyl 1-cyclopropyl-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1-cyclopropyl-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
methyl 1-cyclopropyl-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y501-3921 |
| Compound Name: | methyl 1-cyclopropyl-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate |
| Molecular Weight: | 398.4 |
| Molecular Formula: | C18 H14 N4 O5 S |
| Smiles: | COC(c1cc(c2cccc(c2)[N+]([O-])=O)nc2c1C(N=C(N2C1CC1)S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5245 |
| logD: | 0.4285 |
| logSw: | -3.9313 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.022 |
| InChI Key: | XDAUAEOOSCHTSP-UHFFFAOYSA-N |