{4-[(6-methoxypyridin-2-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
Chemical Structure Depiction of
{4-[(6-methoxypyridin-2-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
{4-[(6-methoxypyridin-2-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-1009 |
| Compound Name: | {4-[(6-methoxypyridin-2-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(pyridin-4-yl)methanone |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C21 H25 N7 O2 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccncc2)=O)Cc2cccc(n2)OC)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0338 |
| logD: | 0.7048 |
| logSw: | -1.4575 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.767 |
| InChI Key: | XSBTYSJEBLFPPV-SFHVURJKSA-N |