N-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-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: | C301-8810 |
| Compound Name: | N-(4-ethoxyphenyl)-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: | 488.55 |
| Molecular Formula: | C19 H20 N8 O4 S2 |
| Smiles: | CCOc1ccc(cc1)NC(Nc1nnc(Sc2nc3c(C(N(C)C(N3C)=O)=O)n2C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0509 |
| logD: | 4.0507 |
| logSw: | -3.9574 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.429 |
| InChI Key: | KQYYEXUGFUKTGH-UHFFFAOYSA-N |