Pca 4248
3-O-methyl 5-O-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C19H23NO4S |
|---|---|
| Molecular Weight | 361.5 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 89.9 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 361.13477 |
| Heavy Atoms | 25 |
| Complexity | 576.0 |
Chemical Identifiers
| CAS Number | 123875-01-4 |
|---|---|
| SMILES | CC1C(=C(NC(=C1C(=O)OCCSC2=CC=CC=C2)C)C)C(=O)OC |
| InChIKey | DHCNAWNKZMNTIS-UHFFFAOYSA-N |
📖 Product Overview
Pca 4248 (CAS: 123875-01-4) is a chemical compound with molecular formula C19H23NO4S and molecular weight 361.5 g/mol. Its IUPAC systematic name is 3-O-methyl 5-O-(2-phenylsulfanylethyl) 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
DHCNAWNKZMNTIS-UHFFFAOYSA-N.
SMILES: CC1C(=C(NC(=C1C(=O)OCCSC2=CC=CC=C2)C)C)C(=O)OC.
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