2-methyl-1-(3-{7-[(pyridin-3-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
2-methyl-1-(3-{7-[(pyridin-3-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}pyrrolidin-1-yl)propan-1-one
2-methyl-1-(3-{7-[(pyridin-3-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | S841-0117 |
| Compound Name: | 2-methyl-1-(3-{7-[(pyridin-3-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl}pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 368.48 |
| Molecular Formula: | C20 H28 N6 O |
| Smiles: | CC(C)C(N1CCC(C1)c1nnc2CCN(CCn12)Cc1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6391 |
| logD: | 0.6139 |
| logSw: | -0.5624 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.54 |
| InChI Key: | NAOUNDCJSOMKBN-QGZVFWFLSA-N |