2-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}benzamide
Chemical Structure Depiction of
2-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}benzamide
2-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}benzamide
Compound characteristics
| Compound ID: | C301-9061 |
| Compound Name: | 2-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}benzamide |
| Molecular Weight: | 508.37 |
| Molecular Formula: | C17 H14 Br N7 O3 S2 |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nnc(NC(c3ccccc3[Br])=O)s2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5037 |
| logD: | 3.2246 |
| logSw: | -3.875 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.093 |
| InChI Key: | IVOCNGCQFGRBBW-UHFFFAOYSA-N |