3,5-dimethoxy-N-{5-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Chemical Structure Depiction of
3,5-dimethoxy-N-{5-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
3,5-dimethoxy-N-{5-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Compound characteristics
| Compound ID: | C301-8970 |
| Compound Name: | 3,5-dimethoxy-N-{5-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C19 H19 N7 O5 S2 |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)Sc1nnc(NC(c2cc(cc(c2)OC)OC)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4598 |
| logD: | 3.4571 |
| logSw: | -3.8842 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.124 |
| InChI Key: | WVYCCMIOWZXAEI-UHFFFAOYSA-N |