3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-1008 |
| Compound Name: | 3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 256.3 |
| Molecular Formula: | C14 H16 N4 O |
| Smiles: | C1CCc2nnc(c3ccccc3)n2C(C1)C(N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0192 |
| logD: | 1.0189 |
| logSw: | -1.7349 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.321 |
| InChI Key: | PQSNPOXWAZSMRA-NSHDSACASA-N |