2-(3,4-dimethylphenyl)-6-[4-({[(4-fluorophenyl)methyl]sulfanyl}acetyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-6-[4-({[(4-fluorophenyl)methyl]sulfanyl}acetyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one
2-(3,4-dimethylphenyl)-6-[4-({[(4-fluorophenyl)methyl]sulfanyl}acetyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one
Compound characteristics
| Compound ID: | F977-0403 |
| Compound Name: | 2-(3,4-dimethylphenyl)-6-[4-({[(4-fluorophenyl)methyl]sulfanyl}acetyl)-1,4-diazepan-1-yl]pyridazin-3(2H)-one |
| Molecular Weight: | 480.6 |
| Molecular Formula: | C26 H29 F N4 O2 S |
| Smiles: | Cc1ccc(cc1C)N1C(C=CC(=N1)N1CCCN(CC1)C(CSCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4272 |
| logD: | 4.4271 |
| logSw: | -4.2939 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.965 |
| InChI Key: | HLQSCFRYPUZTNR-UHFFFAOYSA-N |