8-benzyl-3-[(2-chlorophenyl)methyl]-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Chemical Structure Depiction of
8-benzyl-3-[(2-chlorophenyl)methyl]-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
8-benzyl-3-[(2-chlorophenyl)methyl]-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione
Compound characteristics
Compound ID: | E461-0103 |
Compound Name: | 8-benzyl-3-[(2-chlorophenyl)methyl]-1-methyl-7,8-dihydro-1H-imidazo[2,1-f]purine-2,4(3H,6H)-dione |
Molecular Weight: | 421.88 |
Molecular Formula: | C22 H20 Cl N5 O2 |
Smiles: | CN1C(N(Cc2ccccc2[Cl])C(c2c1nc1N(CCn12)Cc1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.0346 |
logD: | 3.7488 |
logSw: | -4.2039 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 45.595 |
InChI Key: | HGNODRSXFOXMGO-UHFFFAOYSA-N |