3-[(4-bromophenyl)methyl]-1-methyl-8-(3-methylphenyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Chemical Structure Depiction of
3-[(4-bromophenyl)methyl]-1-methyl-8-(3-methylphenyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
3-[(4-bromophenyl)methyl]-1-methyl-8-(3-methylphenyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | E461-0516 |
| Compound Name: | 3-[(4-bromophenyl)methyl]-1-methyl-8-(3-methylphenyl)-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione |
| Molecular Weight: | 466.34 |
| Molecular Formula: | C22 H20 Br N5 O2 |
| Smiles: | Cc1cccc(c1)N1CCn2c3C(N(Cc4ccc(cc4)[Br])C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0713 |
| logD: | 4.0569 |
| logSw: | -4.7245 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.149 |
| InChI Key: | BJNSLWWCFTUSAJ-UHFFFAOYSA-N |