1-[4-(6-methoxy-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]but-2-yn-1-one
Chemical Structure Depiction of
1-[4-(6-methoxy-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]but-2-yn-1-one
1-[4-(6-methoxy-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0886 |
| Compound Name: | 1-[4-(6-methoxy-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]but-2-yn-1-one |
| Molecular Weight: | 339.39 |
| Molecular Formula: | C19 H21 N3 O3 |
| Smiles: | CC#CC(N1CCCN(CC1)C(c1cc2ccc(cc2[nH]1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7305 |
| logD: | 2.7305 |
| logSw: | -3.3432 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.311 |
| InChI Key: | IWBTXQLQGNVPIK-UHFFFAOYSA-N |