1-{4-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]piperidin-1-yl}ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]piperidin-1-yl}ethan-1-one
1-{4-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]piperidin-1-yl}ethan-1-one
Compound characteristics
| Compound ID: | SA53-1015 |
| Compound Name: | 1-{4-[3-(3-methyl-1H-1,2,4-triazol-5-yl)-4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]piperidin-1-yl}ethan-1-one |
| Molecular Weight: | 411.51 |
| Molecular Formula: | C21 H29 N7 O2 |
| Smiles: | CC(N1CCC(CC1)N1CCCN(C(C1)c1nc(C)n[nH]1)C(c1ccncc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.0085 |
| logD: | -1.2537 |
| logSw: | -0.781 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.96 |
| InChI Key: | XGBGOSZKUNCPLX-IBGZPJMESA-N |