5-(3-chlorophenyl)-1-[(5-methyl-2-{4-[(propan-2-yl)oxy]phenyl}-1,3-oxazol-4-yl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3-chlorophenyl)-1-[(5-methyl-2-{4-[(propan-2-yl)oxy]phenyl}-1,3-oxazol-4-yl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3-chlorophenyl)-1-[(5-methyl-2-{4-[(propan-2-yl)oxy]phenyl}-1,3-oxazol-4-yl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | G228-0140 |
| Compound Name: | 5-(3-chlorophenyl)-1-[(5-methyl-2-{4-[(propan-2-yl)oxy]phenyl}-1,3-oxazol-4-yl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 479.92 |
| Molecular Formula: | C24 H22 Cl N5 O4 |
| Smiles: | CC(C)Oc1ccc(cc1)c1nc(CN2C3C(C(N(C3=O)c3cccc(c3)[Cl])=O)N=N2)c(C)o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5087 |
| logD: | 3.5084 |
| logSw: | -3.8251 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.297 |
| InChI Key: | NSGYBWKDKFIBGI-UHFFFAOYSA-N |