N-{[3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-beta-alanine
Chemical Structure Depiction of
N-{[3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-beta-alanine
N-{[3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-beta-alanine
Compound characteristics
| Compound ID: | Y044-1775 |
| Compound Name: | N-{[3-(4-bromophenyl)-6-oxopyridazin-1(6H)-yl]acetyl}-beta-alanine |
| Molecular Weight: | 380.2 |
| Molecular Formula: | C15 H14 Br N3 O4 |
| Smiles: | C(CNC(CN1C(C=CC(c2ccc(cc2)[Br])=N1)=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7267 |
| logD: | -1.969 |
| logSw: | -1.8193 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.516 |
| InChI Key: | QYTCIGAHAYPJBT-UHFFFAOYSA-N |