N-[3-(azepan-1-yl)propyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl)acetamide
N-[3-(azepan-1-yl)propyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl)acetamide
Compound characteristics
| Compound ID: | G361-0501 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl)acetamide |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C23 H30 N6 O2 |
| Smiles: | CC1=NN(CC(NCCCN2CCCCCC2)=O)C(c2cc(c3ccccc3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3839 |
| logD: | -0.2447 |
| logSw: | -2.8739 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.393 |
| InChI Key: | BXIHMKNMCXOZCB-UHFFFAOYSA-N |