5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(5-methyl-2-{4-[(propan-2-yl)oxy]phenyl}-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-[(propan-2-yl)oxy]phenyl}-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-[(propan-2-yl)oxy]phenyl}-1,3-oxazol-4-yl)methyl]-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L937-0435 |
| Compound Name: | 5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(5-methyl-2-{4-[(propan-2-yl)oxy]phenyl}-1,3-oxazol-4-yl)methyl]-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 490.52 |
| Molecular Formula: | C25 H26 N6 O5 |
| Smiles: | CC(C)Oc1ccc(cc1)c1nc(Cn2c(c(C(Nc3ccc4c(c3)OCCO4)=O)nn2)N)c(C)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.2849 |
| logD: | 2.2848 |
| logSw: | -3.0288 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.035 |
| InChI Key: | UFRDQVYFSUDAEL-UHFFFAOYSA-N |