8-bromo-3-methyl-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-bromo-3-methyl-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
8-bromo-3-methyl-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 2516-3919 |
| Compound Name: | 8-bromo-3-methyl-7-[(4-nitrophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 380.15 |
| Molecular Formula: | C13 H10 Br N5 O4 |
| Smiles: | CN1C(NC(c2c1nc(n2Cc1ccc(cc1)[N+]([O-])=O)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2656 |
| logD: | 2.2436 |
| logSw: | -2.9183 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.6 |
| InChI Key: | JTGMNXZGFYQMLD-UHFFFAOYSA-N |