6-(2H-1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-(2H-1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D383-0061 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-5-(3-bromophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 454.28 |
| Molecular Formula: | C21 H16 Br N3 O4 |
| Smiles: | CN1C(c2c(cn(c3ccc4c(c3)OCO4)c2c2cccc(c2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3897 |
| logD: | 4.3897 |
| logSw: | -4.4723 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.903 |
| InChI Key: | SHGKLDIVHIAUOK-UHFFFAOYSA-N |