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}thiophene-2-carboxamide
Chemical Structure Depiction of
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}thiophene-2-carboxamide
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}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | C301-8799 |
| Compound Name: | 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}thiophene-2-carboxamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C15 H13 N7 O3 S3 |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nnc(NC(c3cccs3)=O)s2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1069 |
| logD: | 3.1013 |
| logSw: | -3.4186 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.112 |
| InChI Key: | HAHOSQUJCZHHIG-UHFFFAOYSA-N |