N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Chemical Structure Depiction of
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Compound characteristics
| Compound ID: | 6370-1400 |
| Compound Name: | N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide |
| Molecular Weight: | 461.88 |
| Molecular Formula: | C18 H16 Cl N7 O4 S |
| Smiles: | CN1C(c2c(ncn2CC(Nc2nnc(COc3ccc(cc3)[Cl])s2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0282 |
| logD: | 1.8876 |
| logSw: | -2.9374 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.378 |
| InChI Key: | APJXEASAJOSDCH-UHFFFAOYSA-N |