5-amino-1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-triazole-4-carboxamide
Chemical Structure Depiction of
5-amino-1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-triazole-4-carboxamide
5-amino-1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-triazole-4-carboxamide
Compound characteristics
| Compound ID: | L937-0442 |
| Compound Name: | 5-amino-1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-triazole-4-carboxamide |
| Molecular Weight: | 466.88 |
| Molecular Formula: | C22 H19 Cl N6 O4 |
| Smiles: | Cc1c(Cn2c(c(C(Nc3ccc4c(c3)OCCO4)=O)nn2)N)nc(c2cccc(c2)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 2.2009 |
| logD: | 2.2008 |
| logSw: | -3.4168 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.233 |
| InChI Key: | BKRJIZKYHSGPOX-UHFFFAOYSA-N |