N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | G684-0736 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-methyl-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 445.48 |
| Molecular Formula: | C24 H23 N5 O4 |
| Smiles: | Cc1ccc(cc1)c1nc(Cn2c(C)c(C(NCc3ccc4c(c3)OCO4)=O)nn2)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.2698 |
| logD: | 3.2698 |
| logSw: | -3.2955 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.596 |
| InChI Key: | CMLTUBFOJYFBNE-UHFFFAOYSA-N |