{3-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}(pyridin-3-yl)methanone
Chemical Structure Depiction of
{3-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}(pyridin-3-yl)methanone
{3-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}(pyridin-3-yl)methanone
Compound characteristics
| Compound ID: | S841-0166 |
| Compound Name: | {3-[1-(pyridine-3-carbonyl)pyrrolidin-3-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}(pyridin-3-yl)methanone |
| Molecular Weight: | 417.47 |
| Molecular Formula: | C22 H23 N7 O2 |
| Smiles: | C1CN(CC1c1nnc2CCN(CCn12)C(c1cccnc1)=O)C(c1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.9213 |
| logD: | -0.9214 |
| logSw: | -0.2326 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 77.702 |
| InChI Key: | LDAFGAKGRAEPPW-SFHVURJKSA-N |