N-(cyclopropylmethyl)-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-(cyclopropylmethyl)-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-(cyclopropylmethyl)-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-0966 |
| Compound Name: | N-(cyclopropylmethyl)-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 310.4 |
| Molecular Formula: | C18 H22 N4 O |
| Smiles: | C1CCc2nnc(c3ccccc3)n2C(C1)C(NCC1CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4783 |
| logD: | 2.478 |
| logSw: | -2.6361 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.198 |
| InChI Key: | XVZJYWSMMOKYEI-HNNXBMFYSA-N |