N-methyl-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
N-methyl-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
N-methyl-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: | S911-0242 |
| Compound Name: | N-methyl-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: | 357.45 |
| Molecular Formula: | C19 H27 N5 O2 |
| Smiles: | CCCN(C)C(CC1CCC2=NN(Cc3cccnc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6921 |
| logD: | 1.6917 |
| logSw: | -1.2603 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.907 |
| InChI Key: | ZSUGAYBEOIHBPU-OAHLLOKOSA-N |