6-benzyl-5-(3-bromophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-benzyl-5-(3-bromophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-benzyl-5-(3-bromophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D383-0071 |
| Compound Name: | 6-benzyl-5-(3-bromophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 424.3 |
| Molecular Formula: | C21 H18 Br N3 O2 |
| Smiles: | CN1C(c2c(cn(Cc3ccccc3)c2c2cccc(c2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.368 |
| logD: | 4.368 |
| logSw: | -4.3861 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.328 |
| InChI Key: | VCQZTUDJSXRVID-UHFFFAOYSA-N |