5-({7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)pentanenitrile
Chemical Structure Depiction of
5-({7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)pentanenitrile
5-({7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)pentanenitrile
Compound characteristics
| Compound ID: | 8013-5669 |
| Compound Name: | 5-({7-[(3,4-diethoxyphenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)pentanenitrile |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C23 H29 N5 O4 S |
| Smiles: | CCOc1ccc(Cn2c3C(N(C)C(N(C)c3nc2SCCCCC#N)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.9872 |
| logD: | 2.9872 |
| logSw: | -3.1652 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.199 |
| InChI Key: | BXEMEFJBLWPSKU-UHFFFAOYSA-N |