1-{[3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}piperidine-4-carboxylic acid
Chemical Structure Depiction of
1-{[3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}piperidine-4-carboxylic acid
1-{[3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}piperidine-4-carboxylic acid
Compound characteristics
| Compound ID: | Y043-1865 |
| Compound Name: | 1-{[3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}piperidine-4-carboxylic acid |
| Molecular Weight: | 420.26 |
| Molecular Formula: | C18 H18 Br N3 O4 |
| Smiles: | C1CN(CCC1C(O)=O)C(CN1C(C=CC(c2ccc(cc2)[Br])=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2878 |
| logD: | -1.2653 |
| logSw: | -1.8714 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.348 |
| InChI Key: | TYUHWUMLGBVBIV-UHFFFAOYSA-N |