methyl 4-(2-amino-3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl)benzoate
Chemical Structure Depiction of
methyl 4-(2-amino-3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl)benzoate
methyl 4-(2-amino-3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl)benzoate
Compound characteristics
| Compound ID: | 8002-7804 |
| Compound Name: | methyl 4-(2-amino-3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-4-yl)benzoate |
| Molecular Weight: | 321.38 |
| Molecular Formula: | C19 H19 N3 O2 |
| Smiles: | COC(c1ccc(cc1)c1c2CCCCCc2nc(c1C#N)N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0769 |
| logD: | 4.0767 |
| logSw: | -4.572 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.262 |
| InChI Key: | OYTOQEXVYWQHNT-UHFFFAOYSA-N |