2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-phenylacetamide
Chemical Structure Depiction of
2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-phenylacetamide
2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-phenylacetamide
Compound characteristics
| Compound ID: | 8015-6200 |
| Compound Name: | 2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-phenylacetamide |
| Molecular Weight: | 453.49 |
| Molecular Formula: | C22 H20 F N5 O3 S |
| Smiles: | CN1C(c2c(nc(n2Cc2ccccc2F)SCC(Nc2ccccc2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9475 |
| logD: | 3.9475 |
| logSw: | -3.9244 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.164 |
| InChI Key: | HOWNGNDYJXIRJT-UHFFFAOYSA-N |