4-(4-bromophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Chemical Structure Depiction of
4-(4-bromophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
4-(4-bromophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Compound characteristics
Compound ID: | D158-0109 |
Compound Name: | 4-(4-bromophenyl)-3-(2-hydroxy-4,6-dimethylphenyl)-5-(2-hydroxyethyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one |
Molecular Weight: | 442.31 |
Molecular Formula: | C21 H20 Br N3 O3 |
Smiles: | Cc1cc(C)c(c(c1)O)c1c2C(c3ccc(cc3)[Br])N(CCO)C(c2[nH]n1)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.3153 |
logD: | 4.3112 |
logSw: | -3.9984 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 73.592 |
InChI Key: | FJXORGSGFOXJLU-HXUWFJFHSA-N |