5-(3-chloro-4-methylphenyl)-1-(3,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3-chloro-4-methylphenyl)-1-(3,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3-chloro-4-methylphenyl)-1-(3,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | L109-0236 |
| Compound Name: | 5-(3-chloro-4-methylphenyl)-1-(3,4-dimethylphenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 368.82 |
| Molecular Formula: | C19 H17 Cl N4 O2 |
| Smiles: | Cc1ccc(cc1C)N1C2C(C(N(C2=O)c2ccc(C)c(c2)[Cl])=O)N=N1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3276 |
| logD: | 4.3271 |
| logSw: | -4.4933 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.953 |
| InChI Key: | OFGUCQMPCWBOCQ-UHFFFAOYSA-N |