7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-{2-[(2-hydroxyphenyl)methylidene]hydrazinyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-{2-[(2-hydroxyphenyl)methylidene]hydrazinyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-{2-[(2-hydroxyphenyl)methylidene]hydrazinyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | 3330-5064 |
Compound Name: | 7-[2-hydroxy-3-(2-methylphenoxy)propyl]-8-{2-[(2-hydroxyphenyl)methylidene]hydrazinyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 464.48 |
Molecular Formula: | C23 H24 N6 O5 |
Smiles: | Cc1ccccc1OCC(Cn1c2C(NC(N(C)c2nc1N/N=C/c1ccccc1O)=O)=O)O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.0593 |
logD: | 4.0559 |
logSw: | -3.8448 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 4 |
Polar surface area: | 115.416 |
InChI Key: | PCAFSROOGQQYQQ-INIZCTEOSA-N |