8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | 5228-0315 |
Compound Name: | 8-{[3-(1H-imidazol-1-yl)propyl]amino}-3-methyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 407.47 |
Molecular Formula: | C21 H25 N7 O2 |
Smiles: | CN1C(NC(c2c1nc(NCCCn1ccnc1)n2CCCc1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.3226 |
logD: | 2.0805 |
logSw: | -2.7399 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 76.381 |
InChI Key: | NTKBUGKKJNVPAX-UHFFFAOYSA-N |