5-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0449 |
| Compound Name: | 5-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 368.37 |
| Molecular Formula: | C19 H17 F N4 O3 |
| Smiles: | CCOc1ccc(cc1)N1C(C2C(C1=O)N(Cc1ccc(cc1)F)N=N2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0565 |
| logD: | 2.0563 |
| logSw: | -2.5044 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.496 |
| InChI Key: | CBWKXJJKOMGWPP-UHFFFAOYSA-N |