2,2-dimethyl-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}propanamide
Chemical Structure Depiction of
2,2-dimethyl-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}propanamide
2,2-dimethyl-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}propanamide
Compound characteristics
| Compound ID: | F599-0287 |
| Compound Name: | 2,2-dimethyl-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}propanamide |
| Molecular Weight: | 409.49 |
| Molecular Formula: | C15 H19 N7 O3 S2 |
| Smiles: | CC(C)(C)C(Nc1nnc(Sc2nc3c(C(N(C)C(N3C)=O)=O)n2C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7854 |
| logD: | 2.7809 |
| logSw: | -3.1484 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.365 |
| InChI Key: | GZCJTRMPXAOJGB-UHFFFAOYSA-N |