5-[(5-bromothiophen-2-yl)methyl]-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
Chemical Structure Depiction of
5-[(5-bromothiophen-2-yl)methyl]-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
5-[(5-bromothiophen-2-yl)methyl]-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
Compound characteristics
| Compound ID: | S296-1963 |
| Compound Name: | 5-[(5-bromothiophen-2-yl)methyl]-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione |
| Molecular Weight: | 329.21 |
| Molecular Formula: | C12 H13 Br N2 O2 S |
| Smiles: | CN1C([C@@H]2CN(Cc3ccc(s3)[Br])C[C@@H]2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0054 |
| logD: | 0.4069 |
| logSw: | -2.4225 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.512 |
| InChI Key: | SEMFPYXVJKQDFH-DTORHVGOSA-N |