N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-N~3~-(pyrimidin-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-N~3~-(pyrimidin-2-yl)-beta-alaninamide
N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-N~3~-(pyrimidin-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | Y041-7174 |
| Compound Name: | N-{[4-(4-methoxyphenyl)oxan-4-yl]methyl}-N~3~-(pyrimidin-2-yl)-beta-alaninamide |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C20 H26 N4 O3 |
| Smiles: | COc1ccc(cc1)C1(CCOCC1)CNC(CCNc1ncccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5856 |
| logD: | 1.5856 |
| logSw: | -1.9682 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.728 |
| InChI Key: | JEWLDIIPWKHTPI-UHFFFAOYSA-N |