phenyl(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)methanone
Chemical Structure Depiction of
phenyl(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)methanone
phenyl(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)methanone
Compound characteristics
| Compound ID: | S841-0122 |
| Compound Name: | phenyl(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)methanone |
| Molecular Weight: | 402.5 |
| Molecular Formula: | C23 H26 N6 O |
| Smiles: | C1CN(CC1c1nnc2CCN(CCn12)Cc1cccnc1)C(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9024 |
| logD: | 0.8771 |
| logSw: | -0.69 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.269 |
| InChI Key: | UKQSJQONCVCNPT-HXUWFJFHSA-N |