7,7'-(ethane-1,2-diyl)bis[8-(benzylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione]
Chemical Structure Depiction of
7,7'-(ethane-1,2-diyl)bis[8-(benzylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione]
7,7'-(ethane-1,2-diyl)bis[8-(benzylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione]
Compound characteristics
| Compound ID: | 8019-0552 |
| Compound Name: | 7,7'-(ethane-1,2-diyl)bis[8-(benzylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione] |
| Molecular Weight: | 596.65 |
| Molecular Formula: | C30 H32 N10 O4 |
| Smiles: | CN1C(c2c(nc(NCc3ccccc3)n2CCn2c3C(N(C)C(N(C)c3nc2NCc2ccccc2)=O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6054 |
| logD: | 3.6036 |
| logSw: | -3.6033 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.683 |
| InChI Key: | UKDYLAPDCVFKGR-UHFFFAOYSA-N |