{4-[(3,4-difluorophenyl)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-[(3,4-difluorophenyl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
{4-[(3,4-difluorophenyl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-0980 |
| Compound Name: | {4-[(3,4-difluorophenyl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(pyridin-4-yl)methanone |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C21 H22 F2 N6 O |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccncc2)=O)Cc2ccc(c(c2)F)F)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5513 |
| logD: | 1.531 |
| logSw: | -1.7391 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.211 |
| InChI Key: | DHSZXAVNONWLDN-IBGZPJMESA-N |