1-[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]but-2-yn-1-one
Chemical Structure Depiction of
1-[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]but-2-yn-1-one
1-[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0721 |
| Compound Name: | 1-[4-(5-chloro-2-fluorobenzoyl)-1,4-diazepan-1-yl]but-2-yn-1-one |
| Molecular Weight: | 322.76 |
| Molecular Formula: | C16 H16 Cl F N2 O2 |
| Smiles: | CC#CC(N1CCCN(CC1)C(c1cc(ccc1F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6205 |
| logD: | 2.6205 |
| logSw: | -3.3296 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.418 |
| InChI Key: | VPSMWTLXMMDFFX-UHFFFAOYSA-N |