7-butyl-8-{[(3-methoxyphenyl)methyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-butyl-8-{[(3-methoxyphenyl)methyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-butyl-8-{[(3-methoxyphenyl)methyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8016-6661 |
| Compound Name: | 7-butyl-8-{[(3-methoxyphenyl)methyl]sulfanyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 388.49 |
| Molecular Formula: | C19 H24 N4 O3 S |
| Smiles: | CCCCn1c2C(N(C)C(N(C)c2nc1SCc1cccc(c1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2301 |
| logD: | 4.2301 |
| logSw: | -4.1657 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.808 |
| InChI Key: | AWXQUDIYCBHMAU-UHFFFAOYSA-N |