N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-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}acetamide
Chemical Structure Depiction of
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-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}acetamide
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-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}acetamide
Compound characteristics
| Compound ID: | S911-0283 |
| Compound Name: | N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-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}acetamide |
| Molecular Weight: | 423.52 |
| Molecular Formula: | C22 H29 N7 O2 |
| Smiles: | Cc1c(CN(C)C(CC2CCC3=NN(Cc4cccnc4)C(N3CC2)=O)=O)cn(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.0111 |
| logD: | 1.0107 |
| logSw: | -1.0462 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.819 |
| InChI Key: | VXHBQYGPHOPHEG-QGZVFWFLSA-N |