ethyl 2-amino-3-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylate
Chemical Structure Depiction of
ethyl 2-amino-3-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylate
ethyl 2-amino-3-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylate
Compound characteristics
| Compound ID: | 8019-4490 |
| Compound Name: | ethyl 2-amino-3-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carboxylate |
| Molecular Weight: | 247.29 |
| Molecular Formula: | C13 H17 N3 O2 |
| Smiles: | CCOC(c1c(c(C#N)n2CCCCCc12)N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0374 |
| logD: | 2.0374 |
| logSw: | -1.9612 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.545 |
| InChI Key: | ULYKTWOLVHGAHQ-UHFFFAOYSA-N |