2-methyl-1-{3-[1-(4-methyl-1,3-oxazole-5-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-(4-methyl-1,3-oxazole-5-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-(4-methyl-1,3-oxazole-5-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: | S905-0777 |
| Compound Name: | 2-methyl-1-{3-[1-(4-methyl-1,3-oxazole-5-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: | 400.48 |
| Molecular Formula: | C20 H28 N6 O3 |
| Smiles: | CC(C)C(N1CCc2nnc(C3CCN(CC3)C(c3c(C)nco3)=O)n2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2869 |
| logD: | 0.2847 |
| logSw: | -0.712 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.553 |
| InChI Key: | FGNDNIFRHNDRRT-UHFFFAOYSA-N |