1-{2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepane-1-carbonyl]phenyl}pyrrolidin-2-one
Chemical Structure Depiction of
1-{2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepane-1-carbonyl]phenyl}pyrrolidin-2-one
1-{2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepane-1-carbonyl]phenyl}pyrrolidin-2-one
Compound characteristics
| Compound ID: | T404-0881 |
| Compound Name: | 1-{2-methyl-5-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepane-1-carbonyl]phenyl}pyrrolidin-2-one |
| Molecular Weight: | 418.5 |
| Molecular Formula: | C23 H26 N6 O2 |
| Smiles: | Cc1ccc(cc1N1CCCC1=O)C(N1CCCN(CC1)c1nnc2ccccn12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9891 |
| logD: | 1.9891 |
| logSw: | -2.257 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.145 |
| InChI Key: | QPVNGWZXARAEME-UHFFFAOYSA-N |