1-{2-[7-(1-ethyl-1H-pyrazole-3-carbonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
1-{2-[7-(1-ethyl-1H-pyrazole-3-carbonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one
1-{2-[7-(1-ethyl-1H-pyrazole-3-carbonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S923-1026 |
| Compound Name: | 1-{2-[7-(1-ethyl-1H-pyrazole-3-carbonyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 399.49 |
| Molecular Formula: | C20 H29 N7 O2 |
| Smiles: | CCC(N1CCCCC1c1nnc2CCN(CCn12)C(c1ccn(CC)n1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2167 |
| logD: | 0.2167 |
| logSw: | -1.2462 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.19 |
| InChI Key: | RLQWZELBUKXQJL-INIZCTEOSA-N |