N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0157 |
| Compound Name: | N-[(5-methylfuran-2-yl)methyl]-3-oxo-2-(2-phenoxyethyl)-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C22 H26 N4 O4 |
| Smiles: | Cc1ccc(CNC(C2CCC3=NN(CCOc4ccccc4)C(N3CC2)=O)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9669 |
| logD: | 2.9669 |
| logSw: | -3.0689 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.588 |
| InChI Key: | KSESLBRRPBPPBZ-QGZVFWFLSA-N |