propan-2-yl 4-[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]benzoate
Chemical Structure Depiction of
propan-2-yl 4-[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]benzoate
propan-2-yl 4-[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | J102-0072 |
| Compound Name: | propan-2-yl 4-[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]benzoate |
| Molecular Weight: | 383.45 |
| Molecular Formula: | C21 H25 N3 O4 |
| Smiles: | CC(C)OC(c1ccc(cc1)NC(CN1C(C=C2CCCCCC2=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3232 |
| logD: | 3.3232 |
| logSw: | -3.6842 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.146 |
| InChI Key: | BQNRITJRXFLGBP-UHFFFAOYSA-N |