2-amino-3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile
Chemical Structure Depiction of
2-amino-3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile
2-amino-3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile
Compound characteristics
| Compound ID: | 8019-0651 |
| Compound Name: | 2-amino-3-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-1-carbonitrile |
| Molecular Weight: | 337.38 |
| Molecular Formula: | C19 H19 N3 O3 |
| Smiles: | C1CCc2c(C#N)c(c(C(c3ccc4c(c3)OCCO4)=O)n2CC1)N |
| Stereo: | ACHIRAL |
| logP: | 2.208 |
| logD: | 2.208 |
| logSw: | -2.7454 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.601 |
| InChI Key: | NXOYOVLBMIRYQG-UHFFFAOYSA-N |