N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8017-6309 |
| Compound Name: | N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-({7-[(2-fluorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C20 H20 F N7 O3 S2 |
| Smiles: | CCc1nnc(NC(CSc2nc3c(C(N(C)C(N3C)=O)=O)n2Cc2ccccc2F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.7306 |
| logD: | 3.6856 |
| logSw: | -3.8262 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.204 |
| InChI Key: | YLUFOJBVPSXCJL-UHFFFAOYSA-N |