N-[5-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-4H-1,2,4-triazol-3-yl]acetamide
Chemical Structure Depiction of
N-[5-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-4H-1,2,4-triazol-3-yl]acetamide
N-[5-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-4H-1,2,4-triazol-3-yl]acetamide
Compound characteristics
| Compound ID: | 5721-0131 |
| Compound Name: | N-[5-({7-[(2-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-4H-1,2,4-triazol-3-yl]acetamide |
| Molecular Weight: | 460.9 |
| Molecular Formula: | C18 H17 Cl N8 O3 S |
| Smiles: | CC(Nc1nnc([nH]1)Sc1nc2c(C(N(C)C(N2C)=O)=O)n1Cc1ccccc1[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7151 |
| logD: | 0.9149 |
| logSw: | -2.6387 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.189 |
| InChI Key: | QHBVOCBEJBQRRE-UHFFFAOYSA-N |