2-amino-3-(4-methoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile
Chemical Structure Depiction of
2-amino-3-(4-methoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile
2-amino-3-(4-methoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile
Compound characteristics
| Compound ID: | 8018-8539 |
| Compound Name: | 2-amino-3-(4-methoxybenzoyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile |
| Molecular Weight: | 309.37 |
| Molecular Formula: | C18 H19 N3 O2 |
| Smiles: | COc1ccc(cc1)C(c1c(c(C#N)c2CCCCCn12)N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.076 |
| logD: | 3.076 |
| logSw: | -3.2581 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.321 |
| InChI Key: | ITZHJFLZPYCLCI-UHFFFAOYSA-N |