6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one
Chemical Structure Depiction of
6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one
6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F977-0566 |
| Compound Name: | 6-[4-(3-bromobenzoyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one |
| Molecular Weight: | 453.34 |
| Molecular Formula: | C22 H21 Br N4 O2 |
| Smiles: | C1CN(CCN(C1)C(c1cccc(c1)[Br])=O)C1C=CC(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1869 |
| logD: | 3.1868 |
| logSw: | -3.3762 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.492 |
| InChI Key: | SUBWUDITZJRXST-UHFFFAOYSA-N |