N-benzyl-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}urea
Chemical Structure Depiction of
N-benzyl-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}urea
N-benzyl-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}urea
Compound characteristics
| Compound ID: | F598-0359 |
| Compound Name: | N-benzyl-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}urea |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C18 H18 N8 O3 S2 |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nnc(NC(NCc3ccccc3)=O)s2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8985 |
| logD: | 2.8984 |
| logSw: | -3.4287 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.627 |
| InChI Key: | GXJPLKYISFBSEF-UHFFFAOYSA-N |