6-[4-({[(4-fluorophenyl)methyl]sulfanyl}acetyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one
Chemical Structure Depiction of
6-[4-({[(4-fluorophenyl)methyl]sulfanyl}acetyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one
6-[4-({[(4-fluorophenyl)methyl]sulfanyl}acetyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F977-0611 |
| Compound Name: | 6-[4-({[(4-fluorophenyl)methyl]sulfanyl}acetyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3(2H)-one |
| Molecular Weight: | 452.55 |
| Molecular Formula: | C24 H25 F N4 O2 S |
| Smiles: | C1CN(CCN(C1)C(CSCc1ccc(cc1)F)=O)C1C=CC(N(c2ccccc2)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1683 |
| logD: | 3.1682 |
| logSw: | -3.2723 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.965 |
| InChI Key: | RHBYYCWHDRWMGJ-UHFFFAOYSA-N |