4-{[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]methyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-{[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]methyl}cyclohexane-1-carboxylic acid
4-{[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]methyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y043-1552 |
| Compound Name: | 4-{[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]methyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C19 H27 N3 O4 |
| Smiles: | C1CCC2=CC(N(CC(NC[C@H]3CC[C@@H](CC3)C(O)=O)=O)N=C2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2933 |
| logD: | -1.2671 |
| logSw: | -1.7589 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.636 |
| InChI Key: | HXGCVOPEKUHPEP-UHFFFAOYSA-N |