4-{[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]methyl}benzoic acid
Chemical Structure Depiction of
4-{[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]methyl}benzoic acid
4-{[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]methyl}benzoic acid
Compound characteristics
| Compound ID: | J102-0016 |
| Compound Name: | 4-{[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]methyl}benzoic acid |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C19 H21 N3 O4 |
| Smiles: | C1CCC2=CC(N(CC(NCc3ccc(cc3)C(O)=O)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0536 |
| logD: | -0.9179 |
| logSw: | -2.7049 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.443 |
| InChI Key: | CGGHYXWTAGOYPL-UHFFFAOYSA-N |