5-{[3-(3-bromophenyl)-1H-pyrazol-4-yl]methyl}-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
Chemical Structure Depiction of
5-{[3-(3-bromophenyl)-1H-pyrazol-4-yl]methyl}-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
5-{[3-(3-bromophenyl)-1H-pyrazol-4-yl]methyl}-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
Compound characteristics
| Compound ID: | S296-2079 |
| Compound Name: | 5-{[3-(3-bromophenyl)-1H-pyrazol-4-yl]methyl}-2-methyltetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione |
| Molecular Weight: | 389.25 |
| Molecular Formula: | C17 H17 Br N4 O2 |
| Smiles: | CN1C([C@@H]2CN(Cc3c[nH]nc3c3cccc(c3)[Br])C[C@@H]2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4227 |
| logD: | -1.2126 |
| logSw: | -2.375 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.684 |
| InChI Key: | HLQOHCRVASIMFQ-OKILXGFUSA-N |