8-(cyclohexylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-(cyclohexylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-(cyclohexylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 4236-1111 |
| Compound Name: | 8-(cyclohexylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 457.53 |
| Molecular Formula: | C23 H31 N5 O5 |
| Smiles: | CN1C(c2c(nc(NC3CCCCC3)n2CC(COc2ccc(cc2)OC)O)N(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8995 |
| logD: | 3.8995 |
| logSw: | -3.8608 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.234 |
| InChI Key: | DACMHMPOUOOWOB-INIZCTEOSA-N |