7-[(3-chlorophenyl)methyl]-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3-chlorophenyl)methyl]-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(3-chlorophenyl)methyl]-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 3238-0351 |
| Compound Name: | 7-[(3-chlorophenyl)methyl]-8-[(3-hydroxypropyl)amino]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 377.83 |
| Molecular Formula: | C17 H20 Cl N5 O3 |
| Smiles: | CN1C(c2c(nc(NCCCO)n2Cc2cccc(c2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2291 |
| logD: | 2.2291 |
| logSw: | -3.2411 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.615 |
| InChI Key: | INJJAYQGLLXPEZ-UHFFFAOYSA-N |