ethyl 4-[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 4-[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]benzoate
ethyl 4-[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | J102-0152 |
| Compound Name: | ethyl 4-[2-(3-oxo-3,5,6,7,8,9-hexahydro-2H-cyclohepta[c]pyridazin-2-yl)acetamido]benzoate |
| Molecular Weight: | 369.42 |
| Molecular Formula: | C20 H23 N3 O4 |
| Smiles: | CCOC(c1ccc(cc1)NC(CN1C(C=C2CCCCCC2=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.229 |
| logD: | 3.229 |
| logSw: | -3.4007 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.467 |
| InChI Key: | BQIOCVIVRXXVDM-UHFFFAOYSA-N |