methyl 2-[2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 2-[2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoate
methyl 2-[2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8016-2077 |
| Compound Name: | methyl 2-[2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 511.53 |
| Molecular Formula: | C24 H22 F N5 O5 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)SCC(Nc2ccccc2C(=O)OC)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8638 |
| logD: | 3.8509 |
| logSw: | -3.958 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.64 |
| InChI Key: | MXARYIVAOZEGET-UHFFFAOYSA-N |