3-phenyl-N-[(pyridin-4-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
					Chemical Structure Depiction of
3-phenyl-N-[(pyridin-4-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
			3-phenyl-N-[(pyridin-4-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-0974 | 
| Compound Name: | 3-phenyl-N-[(pyridin-4-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide | 
| Molecular Weight: | 347.42 | 
| Molecular Formula: | C20 H21 N5 O | 
| Smiles: | C1CCc2nnc(c3ccccc3)n2C(C1)C(NCc1ccncc1)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 1.4659 | 
| logD: | 1.4617 | 
| logSw: | -1.4525 | 
| Hydrogen bond acceptors count: | 5 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 60.103 | 
| InChI Key: | MSJJECFDNMLWEL-KRWDZBQOSA-N | 
 
				 
				