2-(4-chlorophenoxy)-N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
Chemical Structure Depiction of
2-(4-chlorophenoxy)-N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
2-(4-chlorophenoxy)-N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
Compound characteristics
| Compound ID: | F599-0296 |
| Compound Name: | 2-(4-chlorophenoxy)-N-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide |
| Molecular Weight: | 493.95 |
| Molecular Formula: | C18 H16 Cl N7 O4 S2 |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nnc(NC(COc3ccc(cc3)[Cl])=O)s2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7237 |
| logD: | 3.7221 |
| logSw: | -4.207 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.379 |
| InChI Key: | PNGIIQPMFYVGTQ-UHFFFAOYSA-N |