N-benzyl-N-[2-(dimethylamino)ethyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-benzyl-N-[2-(dimethylamino)ethyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-benzyl-N-[2-(dimethylamino)ethyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-0902 |
| Compound Name: | N-benzyl-N-[2-(dimethylamino)ethyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 417.55 |
| Molecular Formula: | C25 H31 N5 O |
| Smiles: | CN(C)CCN(Cc1ccccc1)C(C1CCCCc2nnc(c3ccccc3)n12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0745 |
| logD: | 2.2994 |
| logSw: | -3.091 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.317 |
| InChI Key: | HTIHYQAFCDOTJF-QFIPXVFZSA-N |