1-(3-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]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-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]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-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]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: | S905-0843 |
| Compound Name: | 1-(3-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]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: | 441.58 |
| Molecular Formula: | C23 H35 N7 O2 |
| Smiles: | CC(C)C(N1CCc2nnc(C3CCN(CC3)C(CCn3c(C)cc(C)n3)=O)n2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.061 |
| logD: | 0.0588 |
| logSw: | -0.5617 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.097 |
| InChI Key: | HGSSPQCYPHNHTA-UHFFFAOYSA-N |