{4-[(3,5-dimethyl-1,2-oxazol-4-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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
{4-[(3,5-dimethyl-1,2-oxazol-4-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: | SA53-1051 |
| Compound Name: | {4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(pyridin-4-yl)methanone |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C20 H25 N7 O2 |
| Smiles: | Cc1c(CN2CCCN(C(C2)c2nc(C)n[nH]2)C(c2ccncc2)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4506 |
| logD: | -0.4961 |
| logSw: | -1.1885 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.25 |
| InChI Key: | OLXCYERGOLOGAQ-SFHVURJKSA-N |