N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G856-8483 |
| Compound Name: | N-(6-methyl-1,3-benzothiazol-2-yl)-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C18 H18 N6 O3 S2 |
| Smiles: | Cc1ccc2c(c1)sc(NC(CSc1nc3C(N(C)C(N(C)c3n1C)=O)=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.2409 |
| logD: | 3.2409 |
| logSw: | -3.3291 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.951 |
| InChI Key: | PLXLCZYAYIVHAM-UHFFFAOYSA-N |