3-[(4-bromophenyl)methyl]-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Chemical Structure Depiction of
3-[(4-bromophenyl)methyl]-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
3-[(4-bromophenyl)methyl]-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
Compound characteristics
| Compound ID: | IB03-5472 |
| Compound Name: | 3-[(4-bromophenyl)methyl]-1,6,7-trimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione |
| Molecular Weight: | 402.25 |
| Molecular Formula: | C17 H16 Br N5 O2 |
| Smiles: | CC1=C(C)n2c3C(N(Cc4ccc(cc4)[Br])C(N(C)c3nc2N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.03 |
| logD: | 2.81 |
| logSw: | -3.97 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.99 |
| InChI Key: | SGXXSPGOWCXKIO-UHFFFAOYSA-N |