5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-(4-ethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Chemical Structure Depiction of
5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-(4-ethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-(4-ethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one
Compound characteristics
Compound ID: | C390-0116 |
Compound Name: | 5-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-3-(4-ethoxyphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one |
Molecular Weight: | 534.41 |
Molecular Formula: | C27 H24 Br N3 O4 |
Smiles: | CCOc1ccc(cc1)c1c2C(c3ccc(c(c3)OCC)O)N(C(c2[nH]n1)=O)c1ccc(cc1)[Br] |
Stereo: | RACEMIC MIXTURE |
logP: | 5.655 |
logD: | 5.6494 |
logSw: | -5.2864 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.409 |
InChI Key: | NLOLQQDSUDQYSY-AREMUKBSSA-N |