4-(3,4-diethoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[(oxolan-2-yl)methyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Chemical Structure Depiction of
4-(3,4-diethoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[(oxolan-2-yl)methyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
4-(3,4-diethoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[(oxolan-2-yl)methyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Compound characteristics
| Compound ID: | D158-0702 |
| Compound Name: | 4-(3,4-diethoxyphenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-[(oxolan-2-yl)methyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one |
| Molecular Weight: | 491.59 |
| Molecular Formula: | C28 H33 N3 O5 |
| Smiles: | CCOc1ccc(cc1OCC)C1c2c(c3c(C)cc(C)cc3O)n[nH]c2C(N1CC1CCCO1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3833 |
| logD: | 4.3791 |
| logSw: | -4.0127 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.761 |
| InChI Key: | CTVUJROYLXIEMN-UHFFFAOYSA-N |