N-(3-chlorophenyl)-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-chlorophenyl)-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-chlorophenyl)-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: | F598-0349 |
| Compound Name: | N-(3-chlorophenyl)-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: | 478.94 |
| Molecular Formula: | C17 H15 Cl N8 O3 S2 |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nnc(NC(Nc3cccc(c3)[Cl])=O)s2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4355 |
| logD: | 4.434 |
| logSw: | -4.5552 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.305 |
| InChI Key: | ZKOILEMVEVWXTA-UHFFFAOYSA-N |