5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L937-0441 |
| Compound Name: | 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 446.46 |
| Molecular Formula: | C23 H22 N6 O4 |
| Smiles: | Cc1ccc(cc1)c1nc(Cn2c(c(C(Nc3ccc4c(c3)OCCO4)=O)nn2)N)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.0417 |
| logD: | 2.0416 |
| logSw: | -2.9033 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.233 |
| InChI Key: | SXPPTGZALZNEOK-UHFFFAOYSA-N |