2-amino-3-(3,4-dimethoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile
Chemical Structure Depiction of
2-amino-3-(3,4-dimethoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile
2-amino-3-(3,4-dimethoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile
Compound characteristics
| Compound ID: | 8018-8853 |
| Compound Name: | 2-amino-3-(3,4-dimethoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile |
| Molecular Weight: | 339.39 |
| Molecular Formula: | C19 H21 N3 O3 |
| Smiles: | COc1ccc(cc1OC)C(c1c(c(C#N)c2CCCCCn12)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7703 |
| logD: | 2.7703 |
| logSw: | -3.0297 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.038 |
| InChI Key: | XXNNCWNLZSLSPA-UHFFFAOYSA-N |