4-tert-butyl-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
4-tert-butyl-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
4-tert-butyl-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: | F599-0283 |
| Compound Name: | 4-tert-butyl-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: | 485.59 |
| Molecular Formula: | C21 H23 N7 O3 S2 |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1nnc(Sc2nc3c(C(N(C)C(N3C)=O)=O)n2C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9888 |
| logD: | 4.9355 |
| logSw: | -4.5955 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.093 |
| InChI Key: | OUZBJEJNDZPLQW-UHFFFAOYSA-N |