{4-[(4-methyl-1,3-thiazol-5-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-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
{4-[(4-methyl-1,3-thiazol-5-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: | SA53-0984 |
| Compound Name: | {4-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(3-methyl-1H-1,2,4-triazol-5-yl)-1,4-diazepan-1-yl}(pyridin-4-yl)methanone |
| Molecular Weight: | 397.5 |
| Molecular Formula: | C19 H23 N7 O S |
| Smiles: | Cc1c(CN2CCCN(C(C2)c2nc(C)n[nH]2)C(c2ccncc2)=O)scn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6337 |
| logD: | 0.5507 |
| logSw: | -1.8129 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.416 |
| InChI Key: | UGERCXGTURFJJD-INIZCTEOSA-N |