ethyl {4-[(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]phenyl}acetate
Chemical Structure Depiction of
ethyl {4-[(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]phenyl}acetate
ethyl {4-[(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]phenyl}acetate
Compound characteristics
| Compound ID: | M379-0544 |
| Compound Name: | ethyl {4-[(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)amino]phenyl}acetate |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C23 H25 N3 O3 |
| Smiles: | CCOC(Cc1ccc(cc1)NC(N1CCc2cn(C)c3cccc(C1)c23)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3975 |
| logD: | 3.3975 |
| logSw: | -3.6706 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.419 |
| InChI Key: | YBDRQZPNWDJWTO-UHFFFAOYSA-N |