AC1O1DF7
3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-ethoxyphenyl)-5-(2-hydroxyethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
Also Known As: AO-022/43270039|3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-ethoxyphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one|(3Z)-3-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-ethoxyphenyl)-5-(2-hydroxyethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one|3-(5-Chloro-2-hydroxy-4-methylphenyl)-4-(4-ethoxyphenyl)-5-(2-hydroxyethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one|3-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(4-ethoxyphenyl)-5-(2-hydroxyethyl)-2,4-dihydro-1H-pyrrolo[3,4-c]pyrazol-6-one|3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-ethoxyphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(2H)-one
| Molecular Formula | C22H22ClN3O4 |
|---|---|
| Molecular Weight | 427.12988 g/mol |
| LogP | 3.68032 |
| Topological Polar Surface Area | 98.68 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.12988 |
| Monoisotopic Mass | 427.12988 |
| Heavy Atoms | 30 |
| Complexity | 1094.5072 |
Chemical Identifiers
| CAS Number | 866245-75-2 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2C3=C(C(=O)N2CCO)NN=C3C4=C(C=C(C(=C4)Cl)C)O |
Product Overview
AC1O1DF7 (CAS 866245-75-2), with molecular formula C22H22ClN3O4 and molecular weight 427.12988 g/mol. IUPAC: 3-(5-chloro-2-hydroxy-4-methylphenyl)-4-(4-ethoxyphenyl)-5-(2-hydroxyethyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one.