1-[4-(quinoline-2-carbonyl)-1,4-diazepan-1-yl]but-2-yn-1-one
Chemical Structure Depiction of
1-[4-(quinoline-2-carbonyl)-1,4-diazepan-1-yl]but-2-yn-1-one
1-[4-(quinoline-2-carbonyl)-1,4-diazepan-1-yl]but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0731 |
| Compound Name: | 1-[4-(quinoline-2-carbonyl)-1,4-diazepan-1-yl]but-2-yn-1-one |
| Molecular Weight: | 321.38 |
| Molecular Formula: | C19 H19 N3 O2 |
| Smiles: | CC#CC(N1CCCN(CC1)C(c1ccc2ccccc2n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4092 |
| logD: | 2.4092 |
| logSw: | -2.7758 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.749 |
| InChI Key: | UYFAUIPKCQYXES-UHFFFAOYSA-N |