1-{3-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{3-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}-2-methylpropan-1-one
1-{3-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S905-0874 |
| Compound Name: | 1-{3-[1-(1-ethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}-2-methylpropan-1-one |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C21 H31 N7 O2 |
| Smiles: | CCn1ccc(C(N2CCC(CC2)c2nnc3CCN(CCn23)C(C(C)C)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.4005 |
| logD: | 0.3983 |
| logSw: | -1.3096 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.024 |
| InChI Key: | JZUPNINCYBAFOT-UHFFFAOYSA-N |