N-(cyclohexylmethyl)-3-oxo-2-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Chemical Structure Depiction of
N-(cyclohexylmethyl)-3-oxo-2-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
N-(cyclohexylmethyl)-3-oxo-2-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide
Compound characteristics
| Compound ID: | S906-0463 |
| Compound Name: | N-(cyclohexylmethyl)-3-oxo-2-[(pyridin-4-yl)methyl]-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepine-7-carboxamide |
| Molecular Weight: | 383.49 |
| Molecular Formula: | C21 H29 N5 O2 |
| Smiles: | C1CCC(CC1)CNC(C1CCC2=NN(Cc3ccncc3)C(N2CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.386 |
| logD: | 2.3826 |
| logSw: | -2.5067 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.549 |
| InChI Key: | MXKYRGNYWPIYOI-GOSISDBHSA-N |