8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4555-0260 |
| Compound Name: | 8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 357.41 |
| Molecular Formula: | C18 H23 N5 O3 |
| Smiles: | CN1C(c2c(nc(NCCO)n2CCCc2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.278 |
| logD: | 2.2774 |
| logSw: | -2.5559 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.593 |
| InChI Key: | JFDUQJMTVIZUFP-UHFFFAOYSA-N |