1-{4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl}but-2-yn-1-one
1-{4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0726 |
| Compound Name: | 1-{4-[3-(4-methoxyphenyl)propanoyl]-1,4-diazepan-1-yl}but-2-yn-1-one |
| Molecular Weight: | 328.41 |
| Molecular Formula: | C19 H24 N2 O3 |
| Smiles: | CC#CC(N1CCCN(CC1)C(CCc1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2608 |
| logD: | 2.2608 |
| logSw: | -2.2881 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.435 |
| InChI Key: | TXKVVULHFDNIGQ-UHFFFAOYSA-N |