1-[3-(1-benzylpyrrolidin-3-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-benzylpyrrolidin-3-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-benzylpyrrolidin-3-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: | S841-0063 |
| Compound Name: | 1-[3-(1-benzylpyrrolidin-3-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: | 367.49 |
| Molecular Formula: | C21 H29 N5 O |
| Smiles: | CC(C)C(N1CCc2nnc(C3CCN(C3)Cc3ccccc3)n2CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7762 |
| logD: | -0.3954 |
| logSw: | -2.0021 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.022 |
| InChI Key: | OILRKQHTAZFLND-SFHVURJKSA-N |