2-(4-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}acetamide
Chemical Structure Depiction of
2-(4-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}acetamide
2-(4-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}acetamide
Compound characteristics
| Compound ID: | F599-0310 |
| Compound Name: | 2-(4-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}acetamide |
| Molecular Weight: | 477.95 |
| Molecular Formula: | C18 H16 Cl N7 O3 S2 |
| Smiles: | CN1C(c2c(nc(n2C)Sc2nnc(NC(Cc3ccc(cc3)[Cl])=O)s2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5783 |
| logD: | 3.5725 |
| logSw: | -4.0201 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.88 |
| InChI Key: | WBCXRPSFCQYXAT-UHFFFAOYSA-N |