2-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
Chemical Structure Depiction of
2-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
2-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
Compound characteristics
| Compound ID: | 7895-0922 |
| Compound Name: | 2-({7-[(4-chlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide |
| Molecular Weight: | 542.04 |
| Molecular Formula: | C23 H20 Cl N7 O3 S2 |
| Smiles: | Cc1ccc2c(c1NC(CSc1nc3c(C(N(C)C(N3C)=O)=O)n1Cc1ccc(cc1)[Cl])=O)nsn2 |
| Stereo: | ACHIRAL |
| logP: | 4.5631 |
| logD: | 4.5628 |
| logSw: | -4.7138 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.721 |
| InChI Key: | FQWRYCCLWBLUPE-UHFFFAOYSA-N |