ethyl N-(1-butyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)-beta-alaninate
Chemical Structure Depiction of
ethyl N-(1-butyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)-beta-alaninate
ethyl N-(1-butyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)-beta-alaninate
Compound characteristics
| Compound ID: | M379-1168 |
| Compound Name: | ethyl N-(1-butyl-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carbonyl)-beta-alaninate |
| Molecular Weight: | 371.48 |
| Molecular Formula: | C21 H29 N3 O3 |
| Smiles: | CCCCn1cc2CCN(Cc3cccc1c23)C(NCCC(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3978 |
| logD: | 3.3978 |
| logSw: | -3.6245 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.276 |
| InChI Key: | JPVOHIIUQABLII-UHFFFAOYSA-N |