2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | 3136-0260 |
| Compound Name: | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 415.38 |
| Molecular Formula: | C16 H13 N7 O5 S |
| Smiles: | CN1C(c2c(ncn2CC(Nc2nc3ccc(cc3s2)[N+]([O-])=O)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6689 |
| logD: | 1.6688 |
| logSw: | -2.7082 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.253 |
| InChI Key: | VPKPTDRWMGHRGS-UHFFFAOYSA-N |