2-methyl-1-{3-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}propan-1-one
Chemical Structure Depiction of
2-methyl-1-{3-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}propan-1-one
2-methyl-1-{3-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}propan-1-one
Compound characteristics
| Compound ID: | S905-0828 |
| Compound Name: | 2-methyl-1-{3-[1-(1-methyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}propan-1-one |
| Molecular Weight: | 398.51 |
| Molecular Formula: | C21 H30 N6 O2 |
| Smiles: | CC(C)C(N1CCc2nnc(C3CCN(CC3)C(c3cccn3C)=O)n2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5238 |
| logD: | 1.5216 |
| logSw: | -1.7758 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.056 |
| InChI Key: | HXZHSECMSDLOFJ-UHFFFAOYSA-N |