1-benzyl-3-(3,4-dimethoxyphenyl)-5-(4-ethoxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Chemical Structure Depiction of
1-benzyl-3-(3,4-dimethoxyphenyl)-5-(4-ethoxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
1-benzyl-3-(3,4-dimethoxyphenyl)-5-(4-ethoxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid
Compound characteristics
| Compound ID: | C229-1001 |
| Compound Name: | 1-benzyl-3-(3,4-dimethoxyphenyl)-5-(4-ethoxyphenyl)-4,6-dioxooctahydropyrrolo[3,4-c]pyrrole-1-carboxylic acid |
| Molecular Weight: | 530.58 |
| Molecular Formula: | C30 H30 N2 O7 |
| Smiles: | CCOc1ccc(cc1)N1C(C2C(C1=O)C(Cc1ccccc1)(C(O)=O)NC2c1ccc(c(c1)OC)OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9377 |
| logD: | 0.6468 |
| logSw: | -3.4296 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.944 |
| InChI Key: | NBXDDHCQMYBFDS-UHFFFAOYSA-N |