methyl 4-[({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)methyl]benzoate
methyl 4-[({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)methyl]benzoate
Compound characteristics
| Compound ID: | 8014-8958 |
| Compound Name: | methyl 4-[({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)methyl]benzoate |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C23 H21 F N4 O4 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)SCc2ccc(cc2)C(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5545 |
| logD: | 4.5545 |
| logSw: | -4.476 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.188 |
| InChI Key: | XCLRBHJNLVMHHR-UHFFFAOYSA-N |