2-[([(2H-1,3-benzodioxol-5-yl)methyl]{[4-(propan-2-yl)phenyl]methyl}amino)methyl]-N-[(pyridin-4-yl)methyl]-1,3-oxazole-4-carboxamide
Chemical Structure Depiction of
2-[([(2H-1,3-benzodioxol-5-yl)methyl]{[4-(propan-2-yl)phenyl]methyl}amino)methyl]-N-[(pyridin-4-yl)methyl]-1,3-oxazole-4-carboxamide
2-[([(2H-1,3-benzodioxol-5-yl)methyl]{[4-(propan-2-yl)phenyl]methyl}amino)methyl]-N-[(pyridin-4-yl)methyl]-1,3-oxazole-4-carboxamide
Compound characteristics
| Compound ID: | V021-8492 |
| Compound Name: | 2-[([(2H-1,3-benzodioxol-5-yl)methyl]{[4-(propan-2-yl)phenyl]methyl}amino)methyl]-N-[(pyridin-4-yl)methyl]-1,3-oxazole-4-carboxamide |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C29 H30 N4 O4 |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(CN(Cc2ccc3c(c2)OCO3)Cc2nc(co2)C(NCc2ccncc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1558 |
| logD: | 4.1524 |
| logSw: | -3.9715 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.041 |
| InChI Key: | MLEFVTWWGVFPSW-UHFFFAOYSA-N |