3-(5-bromo-2-hydroxyphenyl)-5-butyl-1-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Chemical Structure Depiction of
3-(5-bromo-2-hydroxyphenyl)-5-butyl-1-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
3-(5-bromo-2-hydroxyphenyl)-5-butyl-1-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Compound characteristics
| Compound ID: | 8016-1345 |
| Compound Name: | 3-(5-bromo-2-hydroxyphenyl)-5-butyl-1-methyl-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid |
| Molecular Weight: | 425.28 |
| Molecular Formula: | C18 H21 Br N2 O5 |
| Smiles: | CCCCN1C(C2C(C1=O)C(C)(C(O)=O)NC2c1cc(ccc1O)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2683 |
| logD: | -0.0804 |
| logSw: | -2.6523 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.634 |
| InChI Key: | ZFHYRRQDRMRWQZ-UHFFFAOYSA-N |