dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Compound characteristics
| Compound ID: | 8012-6262 |
| Compound Name: | dimethyl 1-[2-(adamantan-1-yl)ethyl]-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
| Molecular Weight: | 480.56 |
| Molecular Formula: | C27 H32 N2 O6 |
| Smiles: | COC(C1=CN(CCC23CC4CC(CC(C4)C3)C2)C=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2261 |
| logD: | 5.2261 |
| logSw: | -5.2451 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.67 |
| InChI Key: | NFYRVMSRIJCSFL-UHFFFAOYSA-N |