2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | Y031-6914 |
| Compound Name: | 2-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)-N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 391.45 |
| Molecular Formula: | C16 H21 N7 O3 S |
| Smiles: | CC(C)(C)Cc1nnc(NC(Cn2cnc3c2C(N(C)C(N3C)=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.8679 |
| logD: | 1.7896 |
| logSw: | -2.5035 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.15 |
| InChI Key: | ALYMQFTWNCGXEH-UHFFFAOYSA-N |