7-(3-hydroxypropyl)-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-(3-hydroxypropyl)-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
7-(3-hydroxypropyl)-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | C470-0609 |
| Compound Name: | 7-(3-hydroxypropyl)-1,3-dimethyl-8-[(4-phenylpiperazin-1-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 412.49 |
| Molecular Formula: | C21 H28 N6 O3 |
| Smiles: | CN1C(c2c(nc(CN3CCN(CC3)c3ccccc3)n2CCCO)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3007 |
| logD: | 1.2989 |
| logSw: | -1.7419 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.579 |
| InChI Key: | YCQSABWXZGOWHQ-UHFFFAOYSA-N |