2-methyl-1-{3-[1-(1-methyl-1H-imidazole-4-sulfonyl)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-imidazole-4-sulfonyl)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-imidazole-4-sulfonyl)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: | S905-0759 |
| Compound Name: | 2-methyl-1-{3-[1-(1-methyl-1H-imidazole-4-sulfonyl)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: | 435.55 |
| Molecular Formula: | C19 H29 N7 O3 S |
| Smiles: | CC(C)C(N1CCc2nnc(C3CCN(CC3)S(c3cn(C)cn3)(=O)=O)n2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.0896 |
| logD: | -0.092 |
| logSw: | -1.4019 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.113 |
| InChI Key: | CZIDBXREYRGQAY-UHFFFAOYSA-N |