2-amino-3-benzoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile
Chemical Structure Depiction of
2-amino-3-benzoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile
2-amino-3-benzoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile
Compound characteristics
| Compound ID: | 8019-8431 |
| Compound Name: | 2-amino-3-benzoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile |
| Molecular Weight: | 279.34 |
| Molecular Formula: | C17 H17 N3 O |
| Smiles: | C1CCc2c(C#N)c(c(C(c3ccccc3)=O)n2CC1)N |
| Stereo: | ACHIRAL |
| logP: | 2.9886 |
| logD: | 2.9886 |
| logSw: | -3.1919 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.778 |
| InChI Key: | NMVZKDYVKBBPTJ-UHFFFAOYSA-N |