1-(3-{1-[(5-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethan-1-one
Chemical Structure Depiction of
1-(3-{1-[(5-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethan-1-one
1-(3-{1-[(5-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethan-1-one
Compound characteristics
| Compound ID: | CM4232-6768 |
| Compound Name: | 1-(3-{1-[(5-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)ethan-1-one |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C19 H26 N6 O |
| Smiles: | CC(N1CCc2nnc(C3CCN(C3)Cc3ccc(C)cn3)n2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5743 |
| logD: | -1.4233 |
| logSw: | -1.3175 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.123 |
| InChI Key: | SRONAISLNCNQTF-INIZCTEOSA-N |