7-{4-[(2,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl}-2-ethyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Chemical Structure Depiction of
7-{4-[(2,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl}-2-ethyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
7-{4-[(2,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl}-2-ethyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one
Compound characteristics
| Compound ID: | S906-0369 |
| Compound Name: | 7-{4-[(2,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl}-2-ethyl-2,5,6,7,8,9-hexahydro-3H-[1,2,4]triazolo[4,3-a]azepin-3-one |
| Molecular Weight: | 443.55 |
| Molecular Formula: | C23 H33 N5 O4 |
| Smiles: | CCN1C(N2CCC(CCC2=N1)C(N1CCN(CC1)Cc1ccc(cc1OC)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.898 |
| logD: | 1.8673 |
| logSw: | -2.4126 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.875 |
| InChI Key: | YFWOIBSPYCNNMZ-QGZVFWFLSA-N |