2-[(1,3-dimethyl-2,6-dioxo-7-propyl-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-[(1,3-dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
2-[(1,3-dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide
Compound characteristics
| Compound ID: | 8017-6308 |
| Compound Name: | 2-[(1,3-dimethyl-2,6-dioxo-7-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-N-(5-methyl-2,1,3-benzothiadiazol-4-yl)acetamide |
| Molecular Weight: | 459.55 |
| Molecular Formula: | C19 H21 N7 O3 S2 |
| Smiles: | CCCn1c2C(N(C)C(N(C)c2nc1SCC(Nc1c(C)ccc2c1nsn2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2617 |
| logD: | 3.2615 |
| logSw: | -3.1834 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.971 |
| InChI Key: | OWQNLFCDPNQRIM-UHFFFAOYSA-N |