1-benzyl-8-[(3-methoxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-benzyl-8-[(3-methoxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-benzyl-8-[(3-methoxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 5339-0458 |
| Compound Name: | 1-benzyl-8-[(3-methoxypropyl)amino]-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 357.41 |
| Molecular Formula: | C18 H23 N5 O3 |
| Smiles: | CN1C(N(Cc2ccccc2)C(c2c1nc(NCCCOC)n2C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.038 |
| logD: | 2.0373 |
| logSw: | -2.635 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.346 |
| InChI Key: | ODTSQEZVIMHPJC-UHFFFAOYSA-N |