{4-[(2,3-dihydro-1,4-benzodioxin-6-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-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
{4-[(2,3-dihydro-1,4-benzodioxin-6-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: | SA53-0959 |
| Compound Name: | {4-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(pyridin-4-yl)methanone |
| Molecular Weight: | 434.5 |
| Molecular Formula: | C23 H26 N6 O3 |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccncc2)=O)Cc2ccc3c(c2)OCCO3)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3365 |
| logD: | -0.29 |
| logSw: | -1.278 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.035 |
| InChI Key: | XQSQFWBBXJPWOD-IBGZPJMESA-N |