2-({[(2H-1,3-benzodioxol-5-yl)methyl][(4-ethoxyphenyl)methyl]amino}methyl)-N-[(pyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide
Chemical Structure Depiction of
2-({[(2H-1,3-benzodioxol-5-yl)methyl][(4-ethoxyphenyl)methyl]amino}methyl)-N-[(pyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide
2-({[(2H-1,3-benzodioxol-5-yl)methyl][(4-ethoxyphenyl)methyl]amino}methyl)-N-[(pyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | V014-5546 |
| Compound Name: | 2-({[(2H-1,3-benzodioxol-5-yl)methyl][(4-ethoxyphenyl)methyl]amino}methyl)-N-[(pyridin-2-yl)methyl]-1,3-oxazole-4-carboxamide |
| Molecular Weight: | 500.55 |
| Molecular Formula: | C28 H28 N4 O5 |
| Salt: | not_available |
| Smiles: | CCOc1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(co2)C(NCc2ccccn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6333 |
| logD: | 3.633 |
| logSw: | -3.7084 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.28 |
| InChI Key: | GWXOWZPHQOLXKH-UHFFFAOYSA-N |