2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3(2H)-one
Chemical Structure Depiction of
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3(2H)-one
2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3(2H)-one
Compound characteristics
| Compound ID: | Y044-5756 |
| Compound Name: | 2-[2-(azepan-1-yl)-2-oxoethyl]-6-phenylpyridazin-3(2H)-one |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C18 H21 N3 O2 |
| Smiles: | C1CCCN(CC1)C(CN1C(C=CC(c2ccccc2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3534 |
| logD: | 2.3534 |
| logSw: | -2.4905 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.271 |
| InChI Key: | GQYMXGLTZPMOEF-UHFFFAOYSA-N |