3-oxo-2-[(pyridin-4-yl)methyl]-N-[(thiophen-3-yl)methyl]-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-[(thiophen-3-yl)methyl]-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-[(thiophen-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0448 |
| Compound Name: | 3-oxo-2-[(pyridin-4-yl)methyl]-N-[(thiophen-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 383.47 |
| Molecular Formula: | C19 H21 N5 O2 S |
| Smiles: | C1CC2=NN(Cc3ccncc3)C(N2CCC1C(NCc1ccsc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2027 |
| logD: | 1.1993 |
| logSw: | -1.8969 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.376 |
| InChI Key: | OEHBSLOYCROEEF-INIZCTEOSA-N |