methyl N-{2-methyl-5-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carbonyl}-beta-alaninate
Chemical Structure Depiction of
methyl N-{2-methyl-5-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carbonyl}-beta-alaninate
methyl N-{2-methyl-5-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carbonyl}-beta-alaninate
Compound characteristics
| Compound ID: | T829-0848 |
| Compound Name: | methyl N-{2-methyl-5-[(4-methylphenyl)methyl]-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carbonyl}-beta-alaninate |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C21 H26 N2 O4 |
| Smiles: | Cc1ccc(CN2CCc3c(C2)c(C(NCCC(=O)OC)=O)c(C)o3)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0811 |
| logD: | -2.4789 |
| logSw: | -2.713 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.966 |
| InChI Key: | ZGWPYVKIXUSHGX-UHFFFAOYSA-N |