methyl 1-methyl-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1-methyl-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
methyl 1-methyl-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y504-7176 |
| Compound Name: | methyl 1-methyl-7-(3-nitrophenyl)-4-oxo-2-sulfanyl-1,4-dihydropyrido[2,3-d]pyrimidine-5-carboxylate |
| Molecular Weight: | 372.36 |
| Molecular Formula: | C16 H12 N4 O5 S |
| Smiles: | CN1C(=NC(c2c(cc(c3cccc(c3)[N+]([O-])=O)nc12)C(=O)OC)=O)S |
| Stereo: | ACHIRAL |
| logP: | 2.8446 |
| logD: | -1.1148 |
| logSw: | -3.3607 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.506 |
| InChI Key: | PUJQMFFMIPJXAK-UHFFFAOYSA-N |