1-[4-(4-ethoxybenzoyl)-1,4-diazepan-1-yl]but-2-yn-1-one
Chemical Structure Depiction of
1-[4-(4-ethoxybenzoyl)-1,4-diazepan-1-yl]but-2-yn-1-one
1-[4-(4-ethoxybenzoyl)-1,4-diazepan-1-yl]but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0719 |
| Compound Name: | 1-[4-(4-ethoxybenzoyl)-1,4-diazepan-1-yl]but-2-yn-1-one |
| Molecular Weight: | 314.38 |
| Molecular Formula: | C18 H22 N2 O3 |
| Smiles: | CCOc1ccc(cc1)C(N1CCCN(CC1)C(C#CC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0594 |
| logD: | 2.0594 |
| logSw: | -2.3482 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.542 |
| InChI Key: | FJCSSPVEMREQLA-UHFFFAOYSA-N |