N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide
Chemical Structure Depiction of
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide
N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide
Compound characteristics
| Compound ID: | Y044-5094 |
| Compound Name: | N-[5-(2,4-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]-2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)acetamide |
| Molecular Weight: | 436.43 |
| Molecular Formula: | C21 H20 N6 O5 |
| Smiles: | COc1ccc(c(c1)OC)c1nc(NC(CC2C(Nc3ccccc3C(N2)=O)=O)=O)n[nH]1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7969 |
| logD: | 1.7696 |
| logSw: | -2.7278 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 124.193 |
| InChI Key: | OTUNUIXZHGHCJA-HNNXBMFYSA-N |