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-propylacetamide
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-propylacetamide
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-propylacetamide
Compound characteristics
| Compound ID: | S911-0204 |
| 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-propylacetamide |
| Molecular Weight: | 343.43 |
| Molecular Formula: | C18 H25 N5 O2 |
| Smiles: | CCCNC(CC1CCC2=NN(Cc3cccnc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1518 |
| logD: | 1.1514 |
| logSw: | -1.3084 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.347 |
| InChI Key: | WDPSDPHDMQTOSA-CQSZACIVSA-N |