N-[(3,5-dimethyl-1,2-oxazol-4-yl)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}acetamide
Chemical Structure Depiction of
N-[(3,5-dimethyl-1,2-oxazol-4-yl)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}acetamide
N-[(3,5-dimethyl-1,2-oxazol-4-yl)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}acetamide
Compound characteristics
| Compound ID: | S911-0287 |
| Compound Name: | N-[(3,5-dimethyl-1,2-oxazol-4-yl)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}acetamide |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C21 H26 N6 O3 |
| Smiles: | Cc1c(CNC(CC2CCC3=NN(Cc4cccnc4)C(N3CC2)=O)=O)c(C)on1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4306 |
| logD: | 1.4302 |
| logSw: | -1.3356 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.272 |
| InChI Key: | FCEGKZBQVGFJNX-MRXNPFEDSA-N |