2-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-bromophenyl)pyridazin-3(2H)-one
Chemical Structure Depiction of
2-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-bromophenyl)pyridazin-3(2H)-one
2-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-bromophenyl)pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | Y040-9879 |
| Compound Name: | 2-[2-(azepan-1-yl)-2-oxoethyl]-6-(4-bromophenyl)pyridazin-3(2H)-one |
| Molecular Weight: | 390.28 |
| Molecular Formula: | C18 H20 Br N3 O2 |
| Smiles: | C1CCCN(CC1)C(CN1C(C=CC(c2ccc(cc2)[Br])=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2924 |
| logD: | 3.2924 |
| logSw: | -3.3086 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.271 |
| InChI Key: | OVIHRWZURLDJIL-UHFFFAOYSA-N |