2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | 4100-3813 |
| Compound Name: | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide |
| Molecular Weight: | 460.51 |
| Molecular Formula: | C23 H20 N6 O3 S |
| Smiles: | Cc1ccc2c(c1)sc(c1ccc(cc1)NC(Cn1cnc3c1C(N(C)C(N3C)=O)=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.4193 |
| logD: | 3.4193 |
| logSw: | -3.6904 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.559 |
| InChI Key: | DMLMTVJLIBVVSY-UHFFFAOYSA-N |