2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-benzyl-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-benzyl-N-[(furan-2-yl)methyl]acetamide
2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-benzyl-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | S638-4366 |
| Compound Name: | 2-(7-amino-3-oxo-6,7,8,9-tetrahydro-3H-[1,2,4]triazolo[4,3-a]azepin-2(5H)-yl)-N-benzyl-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C21 H25 N5 O3 |
| Smiles: | C1CC2=NN(CC(N(Cc3ccccc3)Cc3ccco3)=O)C(N2CCC1N)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.228 |
| logD: | -2.7648 |
| logSw: | -1.6401 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.723 |
| InChI Key: | RTWYYXDSOONLMP-QGZVFWFLSA-N |