ethyl 4-{2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1(6H)-yl]butanamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1(6H)-yl]butanamido}benzoate
ethyl 4-{2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1(6H)-yl]butanamido}benzoate
Compound characteristics
| Compound ID: | D279-0041 |
| Compound Name: | ethyl 4-{2-[3-(3,4-dimethylphenyl)-6-oxopyridazin-1(6H)-yl]butanamido}benzoate |
| Molecular Weight: | 433.51 |
| Molecular Formula: | C25 H27 N3 O4 |
| Smiles: | CCC(C(Nc1ccc(cc1)C(=O)OCC)=O)N1C(C=CC(c2ccc(C)c(C)c2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.516 |
| logD: | 5.5159 |
| logSw: | -5.3743 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.782 |
| InChI Key: | NSQVTLCYOORUSW-QFIPXVFZSA-N |