5-(4-bromophenyl)-6-[2-(hydroxymethyl)-1-methyl-1H-benzimidazol-5-yl]-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
5-(4-bromophenyl)-6-[2-(hydroxymethyl)-1-methyl-1H-benzimidazol-5-yl]-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
5-(4-bromophenyl)-6-[2-(hydroxymethyl)-1-methyl-1H-benzimidazol-5-yl]-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D252-0025 |
| Compound Name: | 5-(4-bromophenyl)-6-[2-(hydroxymethyl)-1-methyl-1H-benzimidazol-5-yl]-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 494.35 |
| Molecular Formula: | C23 H20 Br N5 O3 |
| Smiles: | CN1C(c2c(cn(c3ccc4c(c3)nc(CO)n4C)c2c2ccc(cc2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2954 |
| logD: | 3.0535 |
| logSw: | -3.4295 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.889 |
| InChI Key: | VCRWZHSEWUFHHG-UHFFFAOYSA-N |