N-(2-chloro-4-methylphenyl)-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-(2-chloro-4-methylphenyl)-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-(2-chloro-4-methylphenyl)-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: | F598-0336 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-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: | 492.96 |
| Molecular Formula: | C18 H17 Cl N8 O3 S2 |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(Nc1nnc(Sc2nc3c(C(N(C)C(N3C)=O)=O)n2C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4067 |
| logD: | 4.4053 |
| logSw: | -4.5596 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.607 |
| InChI Key: | DHMYWUPLRCPKMD-UHFFFAOYSA-N |