6-(2-bromoethyl)-5-(4-tert-butylphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-(2-bromoethyl)-5-(4-tert-butylphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-(2-bromoethyl)-5-(4-tert-butylphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0139 |
| Compound Name: | 6-(2-bromoethyl)-5-(4-tert-butylphenyl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 418.33 |
| Molecular Formula: | C20 H24 Br N3 O2 |
| Smiles: | CC(C)(C)c1ccc(cc1)c1c2C(N(C)C(N(C)c2cn1CC[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4469 |
| logD: | 4.4469 |
| logSw: | -4.3275 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.578 |
| InChI Key: | GTQWNAPSFSEELL-UHFFFAOYSA-N |