2-({1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-({1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
2-({1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | 8013-0319 |
| Compound Name: | 2-({1-[(2-chlorophenyl)methyl]-3,7-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-[2-(3,4-diethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 586.11 |
| Molecular Formula: | C28 H32 Cl N5 O5 S |
| Smiles: | CCOc1ccc(CCNC(CSc2nc3c(C(N(Cc4ccccc4[Cl])C(N3C)=O)=O)n2C)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.3532 |
| logD: | 3.3532 |
| logSw: | -3.6134 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.793 |
| InChI Key: | FREFFXLKMPCBOK-UHFFFAOYSA-N |