3-oxo-2-[(pyridin-4-yl)methyl]-N-[2-(thiophen-2-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
3-oxo-2-[(pyridin-4-yl)methyl]-N-[2-(thiophen-2-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
3-oxo-2-[(pyridin-4-yl)methyl]-N-[2-(thiophen-2-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0439 |
| Compound Name: | 3-oxo-2-[(pyridin-4-yl)methyl]-N-[2-(thiophen-2-yl)ethyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 397.5 |
| Molecular Formula: | C20 H23 N5 O2 S |
| Smiles: | C1CC2=NN(Cc3ccncc3)C(N2CCC1C(NCCc1cccs1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5083 |
| logD: | 1.505 |
| logSw: | -2.0393 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.217 |
| InChI Key: | HPSFZMXGKNHIQE-INIZCTEOSA-N |