3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
Compound ID: | D226-0158 |
Compound Name: | 3-methyl-8-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione |
Molecular Weight: | 413.52 |
Molecular Formula: | C19 H19 N5 O2 S2 |
Smiles: | Cc1csc(n1)Sc1nc2c(C(NC(N2C)=O)=O)n1CCCc1ccccc1 |
Stereo: | ACHIRAL |
logP: | 4.3401 |
logD: | 4.3395 |
logSw: | -4.256 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.08 |
InChI Key: | QCNHWXZGJTUIQP-UHFFFAOYSA-N |