N-(3-acetylphenyl)-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-(3-acetylphenyl)-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-(3-acetylphenyl)-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: | F598-0339 |
| Compound Name: | N-(3-acetylphenyl)-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: | 486.53 |
| Molecular Formula: | C19 H18 N8 O4 S2 |
| Smiles: | CC(c1cccc(c1)NC(Nc1nnc(Sc2nc3c(C(N(C)C(N3C)=O)=O)n2C)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4228 |
| logD: | 3.4226 |
| logSw: | -3.7691 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.132 |
| InChI Key: | XIACOONSYIVISJ-UHFFFAOYSA-N |