N-(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-(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-(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: | G856-8482 |
| Compound Name: | N-(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: | 416.48 |
| Molecular Formula: | C17 H16 N6 O3 S2 |
| Smiles: | CN1C(c2c(N(C)C1=O)n(C)c(n2)SCC(Nc1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8522 |
| logD: | 2.8522 |
| logSw: | -3.3064 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.951 |
| InChI Key: | OTOCKTSZILWMMV-UHFFFAOYSA-N |