3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxylic acid
Chemical Structure Depiction of
3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxylic acid
3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxylic acid
Compound characteristics
| Compound ID: | T149-1075 |
| Compound Name: | 3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxylic acid |
| Molecular Weight: | 257.29 |
| Molecular Formula: | C14 H15 N3 O2 |
| Smiles: | C1CCc2nnc(c3ccccc3)n2C(C1)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3151 |
| logD: | -2.4747 |
| logSw: | -1.6897 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.67 |
| InChI Key: | SCUMKCYXTIDETP-NSHDSACASA-N |