{2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-[(thiophen-3-yl)methyl]-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
Chemical Structure Depiction of
{2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-[(thiophen-3-yl)methyl]-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
{2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-[(thiophen-3-yl)methyl]-1,4-diazepan-1-yl}(pyridin-4-yl)methanone
Compound characteristics
| Compound ID: | SA53-0986 |
| Compound Name: | {2-(3-methyl-1H-1,2,4-triazol-5-yl)-4-[(thiophen-3-yl)methyl]-1,4-diazepan-1-yl}(pyridin-4-yl)methanone |
| Molecular Weight: | 382.49 |
| Molecular Formula: | C19 H22 N6 O S |
| Smiles: | Cc1nc(C2CN(CCCN2C(c2ccncc2)=O)Cc2ccsc2)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0387 |
| logD: | 0.6078 |
| logSw: | -1.9122 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.23 |
| InChI Key: | CFLLZHVNPWWOCJ-KRWDZBQOSA-N |