ethyl 5-{[2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]methyl}furan-2-carboxylate
Chemical Structure Depiction of
ethyl 5-{[2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]methyl}furan-2-carboxylate
ethyl 5-{[2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | 8017-2430 |
| Compound Name: | ethyl 5-{[2-({1,3-dimethyl-7-[(2-methylphenyl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]methyl}furan-2-carboxylate |
| Molecular Weight: | 525.58 |
| Molecular Formula: | C25 H27 N5 O6 S |
| Smiles: | CCOC(c1ccc(CNC(CSc2nc3c(C(N(C)C(N3C)=O)=O)n2Cc2ccccc2C)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4072 |
| logD: | 4.4072 |
| logSw: | -4.1144 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.081 |
| InChI Key: | MMXHJVBCTFJKFG-UHFFFAOYSA-N |