5-bromo-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}furan-2-carboxamide
Chemical Structure Depiction of
5-bromo-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}furan-2-carboxamide
5-bromo-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}furan-2-carboxamide
Compound characteristics
| Compound ID: | F599-0300 |
| Compound Name: | 5-bromo-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}furan-2-carboxamide |
| Molecular Weight: | 498.33 |
| Molecular Formula: | C15 H12 Br N7 O4 S2 |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nnc(NC(c3ccc(o3)[Br])=O)s2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3317 |
| logD: | 2.7832 |
| logSw: | -3.6696 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.019 |
| InChI Key: | ZEUIDJXIWZXJSE-UHFFFAOYSA-N |