3-(1-propyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)benzonitrile
Chemical Structure Depiction of
3-(1-propyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)benzonitrile
3-(1-propyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | M378-0174 |
| Compound Name: | 3-(1-propyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)benzonitrile |
| Molecular Weight: | 343.43 |
| Molecular Formula: | C22 H21 N3 O |
| Smiles: | CCCn1cc2CCN(Cc3cccc1c23)C(c1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3049 |
| logD: | 3.3049 |
| logSw: | -3.6466 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 35.918 |
| InChI Key: | BMNDCZSMLKEBCW-UHFFFAOYSA-N |