6-(2-bromoethyl)-5-(4-chlorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-(2-bromoethyl)-5-(4-chlorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-(2-bromoethyl)-5-(4-chlorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0205 |
| Compound Name: | 6-(2-bromoethyl)-5-(4-chlorophenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 396.67 |
| Molecular Formula: | C16 H15 Br Cl N3 O2 |
| Smiles: | CN1C(c2c(cn(CC[Br])c2c2ccc(cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2472 |
| logD: | 3.2472 |
| logSw: | -4.1031 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.578 |
| InChI Key: | ZMKBFGCAPMKUOQ-UHFFFAOYSA-N |