5-(3-chlorophenyl)-1-[(5-methyl-2-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-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-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: | G228-0324 |
| Compound Name: | 5-(3-chlorophenyl)-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 421.84 |
| Molecular Formula: | C21 H16 Cl N5 O3 |
| Smiles: | Cc1c(CN2C3C(C(N(C3=O)c3cccc(c3)[Cl])=O)N=N2)nc(c2ccccc2)o1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7371 |
| logD: | 2.7368 |
| logSw: | -3.4115 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.495 |
| InChI Key: | SQSQDDNIRROMKL-UHFFFAOYSA-N |