methyl 2-[5-(4-bromophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
Chemical Structure Depiction of
methyl 2-[5-(4-bromophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
methyl 2-[5-(4-bromophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate
Compound characteristics
| Compound ID: | D252-0032 |
| Compound Name: | methyl 2-[5-(4-bromophenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]benzoate |
| Molecular Weight: | 468.31 |
| Molecular Formula: | C22 H18 Br N3 O4 |
| Smiles: | CN1C(c2c(cn(c3ccccc3C(=O)OC)c2c2ccc(cc2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1682 |
| logD: | 4.1682 |
| logSw: | -4.4282 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.66 |
| InChI Key: | WKTNDHATWFGECE-UHFFFAOYSA-N |