methyl 4-{2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 6265-0059 |
| Compound Name: | methyl 4-{2-[(7-benzyl-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 493.54 |
| Molecular Formula: | C24 H23 N5 O5 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2)SCC(Nc2ccc(cc2)C(=O)OC)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9519 |
| logD: | 3.9519 |
| logSw: | -4.0942 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.338 |
| InChI Key: | DHASLMFNALCURF-UHFFFAOYSA-N |