N-(4-bromophenyl)-1-(2-methoxyethyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide
Chemical Structure Depiction of
N-(4-bromophenyl)-1-(2-methoxyethyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide
N-(4-bromophenyl)-1-(2-methoxyethyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide
Compound characteristics
| Compound ID: | M379-0337 |
| Compound Name: | N-(4-bromophenyl)-1-(2-methoxyethyl)-1,3,4,6-tetrahydro-5H-azepino[5,4,3-cd]indole-5-carboxamide |
| Molecular Weight: | 428.33 |
| Molecular Formula: | C21 H22 Br N3 O2 |
| Smiles: | COCCn1cc2CCN(Cc3cccc1c23)C(Nc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.0683 |
| logD: | 4.0683 |
| logSw: | -4.1838 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.025 |
| InChI Key: | YLYBKOFVPFSQBE-UHFFFAOYSA-N |