3-(5-bromo-2-hydroxyphenyl)-1-methyl-5-(3-methylphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Chemical Structure Depiction of
3-(5-bromo-2-hydroxyphenyl)-1-methyl-5-(3-methylphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
3-(5-bromo-2-hydroxyphenyl)-1-methyl-5-(3-methylphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Compound characteristics
Compound ID: | 8013-0132 |
Compound Name: | 3-(5-bromo-2-hydroxyphenyl)-1-methyl-5-(3-methylphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid |
Molecular Weight: | 459.29 |
Molecular Formula: | C21 H19 Br N2 O5 |
Smiles: | Cc1cccc(c1)N1C(C2C(C1=O)C(C)(C(O)=O)NC2c1cc(ccc1O)[Br])=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 2.5505 |
logD: | 0.2018 |
logSw: | -2.5667 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 86.773 |
InChI Key: | MSTLQCTUYIPCSA-UHFFFAOYSA-N |