4-(3-bromophenyl)-3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Chemical Structure Depiction of
4-(3-bromophenyl)-3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
4-(3-bromophenyl)-3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Compound characteristics
Compound ID: | D074-0004 |
Compound Name: | 4-(3-bromophenyl)-3-(2-hydroxyphenyl)-5-[(oxolan-2-yl)methyl]-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one |
Molecular Weight: | 454.32 |
Molecular Formula: | C22 H20 Br N3 O3 |
Smiles: | C1CC(CN2C(c3cccc(c3)[Br])c3c(c4ccccc4O)n[nH]c3C2=O)OC1 |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.5949 |
logD: | 4.5834 |
logSw: | -3.9353 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 65.341 |
InChI Key: | YVKFBPXSAREMDD-UHFFFAOYSA-N |