5-(4-chlorophenyl)-1-{2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(4-chlorophenyl)-1-{2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(4-chlorophenyl)-1-{2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
Compound ID: | 6049-0395 |
Compound Name: | 5-(4-chlorophenyl)-1-{2-[3-(4-chlorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
Molecular Weight: | 577.43 |
Molecular Formula: | C28 H22 Cl2 N6 O4 |
Smiles: | COc1ccc(cc1)C1CC(c2ccc(cc2)[Cl])=NN1C(CN1C2C(C(N(C2=O)c2ccc(cc2)[Cl])=O)N=N1)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.1991 |
logD: | 4.199 |
logSw: | -4.8217 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 91.537 |
InChI Key: | UVJQZPSMGXPSJC-UHFFFAOYSA-N |