4-(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)benzonitrile
Chemical Structure Depiction of
4-(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)benzonitrile
4-(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)benzonitrile
Compound characteristics
| Compound ID: | M378-0732 |
| Compound Name: | 4-(1-methyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)benzonitrile |
| Molecular Weight: | 315.37 |
| Molecular Formula: | C20 H17 N3 O |
| Smiles: | Cn1cc2CCN(Cc3cccc1c23)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6148 |
| logD: | 2.6148 |
| logSw: | -2.6589 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 36.495 |
| InChI Key: | IWYMGGBVEPPOMX-UHFFFAOYSA-N |