N-(cyanomethyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Chemical Structure Depiction of
N-(cyanomethyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
N-(cyanomethyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide
Compound characteristics
| Compound ID: | 3010-1339 |
| Compound Name: | N-(cyanomethyl)-2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide |
| Molecular Weight: | 276.25 |
| Molecular Formula: | C11 H12 N6 O3 |
| Smiles: | CN1C(c2c(ncn2CC(NCC#N)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | -1.1419 |
| logD: | -1.1419 |
| logSw: | -1.2533 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.037 |
| InChI Key: | WMSAPTNJEZRMMB-UHFFFAOYSA-N |