4-(4-bromophenyl)-5-butyl-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Chemical Structure Depiction of
4-(4-bromophenyl)-5-butyl-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
4-(4-bromophenyl)-5-butyl-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Compound characteristics
Compound ID: | D074-0467 |
Compound Name: | 4-(4-bromophenyl)-5-butyl-3-(2-hydroxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one |
Molecular Weight: | 426.31 |
Molecular Formula: | C21 H20 Br N3 O2 |
Smiles: | CCCCN1C(c2ccc(cc2)[Br])c2c(c3ccccc3O)n[nH]c2C1=O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.6948 |
logD: | 5.6833 |
logSw: | -5.2039 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 56.937 |
InChI Key: | OSHBZVBIPNGNHZ-HXUWFJFHSA-N |