N-(5-chloro-2-methylphenyl)-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
N-(5-chloro-2-methylphenyl)-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Compound characteristics
| Compound ID: | C338-0311 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide |
| Molecular Weight: | 415.81 |
| Molecular Formula: | C19 H15 Cl F N5 O3 |
| Smiles: | Cc1ccc(cc1NC(CN1C2C(C(N(C2=O)c2ccc(cc2)F)=O)N=N1)=O)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.7319 |
| logD: | 1.7316 |
| logSw: | -2.8444 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.824 |
| InChI Key: | GQRFTTNITNPGME-UHFFFAOYSA-N |