6-benzyl-5-(4-bromophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-benzyl-5-(4-bromophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-benzyl-5-(4-bromophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
Compound ID: | D252-0034 |
Compound Name: | 6-benzyl-5-(4-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)c2c2ccc(cc2)[Br])N(C)C1=O)=O |
Stereo: | ACHIRAL |
logP: | 4.2665 |
logD: | 4.2665 |
logSw: | -4.3797 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 32.328 |
InChI Key: | PKAZMFYXRFESOK-UHFFFAOYSA-N |