N-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-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: | S906-0433 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-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: | 407.47 |
| Molecular Formula: | C22 H25 N5 O3 |
| Smiles: | COc1ccc(CNC(C2CCC3=NN(Cc4ccncc4)C(N3CC2)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3581 |
| logD: | 1.3547 |
| logSw: | -1.5458 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.901 |
| InChI Key: | XOKRIZDBISUNGS-GOSISDBHSA-N |