N-[(4-methylphenyl)methyl]-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-methylphenyl)methyl]-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-methylphenyl)methyl]-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: | F598-0365 |
| Compound Name: | N-[(4-methylphenyl)methyl]-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: | 472.55 |
| Molecular Formula: | C19 H20 N8 O3 S2 |
| Smiles: | Cc1ccc(CNC(Nc2nnc(Sc3nc4c(C(N(C)C(N4C)=O)=O)n3C)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3219 |
| logD: | 3.3218 |
| logSw: | -3.5174 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.627 |
| InChI Key: | XFVKJSHBCRVFPD-UHFFFAOYSA-N |