dimethyl 2,6-dimethyl-4-{4-[(thiophene-2-carbonyl)oxy]phenyl}-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 2,6-dimethyl-4-{4-[(thiophene-2-carbonyl)oxy]phenyl}-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 2,6-dimethyl-4-{4-[(thiophene-2-carbonyl)oxy]phenyl}-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | Y070-0141 |
| Compound Name: | dimethyl 2,6-dimethyl-4-{4-[(thiophene-2-carbonyl)oxy]phenyl}-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 427.47 |
| Molecular Formula: | C22 H21 N O6 S |
| Smiles: | CC1=C(C(C(=C(C)N1)C(=O)OC)c1ccc(cc1)OC(c1cccs1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.6312 |
| logD: | -0.4971 |
| logSw: | -3.9479 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.098 |
| InChI Key: | XHNFPZVCDSPOCG-UHFFFAOYSA-N |