7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione
7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7706-0433 |
| Compound Name: | 7-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-methyl-8-[(3-methylbutyl)amino]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 415.49 |
| Molecular Formula: | C21 H29 N5 O4 |
| Smiles: | CC(C)CCNc1nc2c(C(NC(N2C)=O)=O)n1CC(COc1cccc(C)c1)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6747 |
| logD: | 3.6745 |
| logSw: | -3.882 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.992 |
| InChI Key: | BKWAVDPTQBAVAK-HNNXBMFYSA-N |