1-[3-(1-acetylpiperidin-4-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[3-(1-acetylpiperidin-4-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-(3-methylphenoxy)ethan-1-one
1-[3-(1-acetylpiperidin-4-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | S905-0292 |
| Compound Name: | 1-[3-(1-acetylpiperidin-4-yl)-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C22 H29 N5 O3 |
| Smiles: | CC(N1CCC(CC1)c1nnc2CCN(CCn12)C(COc1cccc(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9379 |
| logD: | 0.9358 |
| logSw: | -1.5953 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 66.078 |
| InChI Key: | DOSXLIGCOGXQLB-UHFFFAOYSA-N |