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
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
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: | C301-8967 |
| Compound Name: | 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: | 429.48 |
| Molecular Formula: | C17 H15 N7 O3 S2 |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)Sc1nnc(NC(c2ccccc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0893 |
| logD: | 3.0465 |
| logSw: | -3.4827 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.037 |
| InChI Key: | UHHPSRGUDDDYNW-UHFFFAOYSA-N |