8-[2-(5-tert-butylthiophen-2-yl)ethenyl]-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[2-(5-tert-butylthiophen-2-yl)ethenyl]-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
8-[2-(5-tert-butylthiophen-2-yl)ethenyl]-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | H025-3270 |
| Compound Name: | 8-[2-(5-tert-butylthiophen-2-yl)ethenyl]-1,3-diethyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 386.51 |
| Molecular Formula: | C20 H26 N4 O2 S |
| Smiles: | CCN1C(c2c(nc(/C=C/c3ccc(C(C)(C)C)s3)n2C)N(CC)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4631 |
| logD: | 4.4631 |
| logSw: | -4.2591 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.427 |
| InChI Key: | DKZLSPMUKQUXJT-UHFFFAOYSA-N |