N-[(5-methylfuran-2-yl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Chemical Structure Depiction of
N-[(5-methylfuran-2-yl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
N-[(5-methylfuran-2-yl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide
Compound characteristics
| Compound ID: | T149-0916 |
| Compound Name: | N-[(5-methylfuran-2-yl)methyl]-3-phenyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine-5-carboxamide |
| Molecular Weight: | 350.42 |
| Molecular Formula: | C20 H22 N4 O2 |
| Smiles: | Cc1ccc(CNC(C2CCCCc3nnc(c4ccccc4)n23)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8799 |
| logD: | 2.879 |
| logSw: | -3.2054 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.938 |
| InChI Key: | ZELIMUXVVUVJED-KRWDZBQOSA-N |