N-[2-(3,4-diethoxyphenyl)ethyl]-2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8012-9103 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-({1,3-dimethyl-7-[(4-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide |
| Molecular Weight: | 565.69 |
| Molecular Formula: | C29 H35 N5 O5 S |
| Smiles: | CCOc1ccc(CCNC(CSc2nc3c(C(N(C)C(N3C)=O)=O)n2Cc2ccc(C)cc2)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.7489 |
| logD: | 3.7489 |
| logSw: | -3.7859 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.748 |
| InChI Key: | QLVXAWNXLUXWDQ-UHFFFAOYSA-N |