2-{3-oxo-2-[(pyridin-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
Chemical Structure Depiction of
2-{3-oxo-2-[(pyridin-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
2-{3-oxo-2-[(pyridin-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | S911-0241 |
| Compound Name: | 2-{3-oxo-2-[(pyridin-3-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-7-yl}-N-[2-(pyrrolidin-1-yl)ethyl]acetamide |
| Molecular Weight: | 398.51 |
| Molecular Formula: | C21 H30 N6 O2 |
| Smiles: | C1CCN(C1)CCNC(CC1CCC2=NN(Cc3cccnc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7409 |
| logD: | -1.4147 |
| logSw: | -1.118 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.424 |
| InChI Key: | MTDSEIBSHFEWJT-QGZVFWFLSA-N |