2-amino-4-{5-[(2-nitrophenoxy)methyl]furan-2-yl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-{5-[(2-nitrophenoxy)methyl]furan-2-yl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
2-amino-4-{5-[(2-nitrophenoxy)methyl]furan-2-yl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y508-9690 |
| Compound Name: | 2-amino-4-{5-[(2-nitrophenoxy)methyl]furan-2-yl}-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile |
| Molecular Weight: | 404.42 |
| Molecular Formula: | C22 H20 N4 O4 |
| Smiles: | C1CCc2c(c(C#N)c(N)nc2CC1)c1ccc(COc2ccccc2[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.4778 |
| logD: | 4.4777 |
| logSw: | -4.7797 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.324 |
| InChI Key: | CEGHUDQJKLNOLN-UHFFFAOYSA-N |