Methyl 2-[2-[4-(perhydropyridazin-1-ylthiocarbonylamino)-3-fluorophenoxy-methyl]-5-methylphenoxy]propionate
Basic information
- Standard SMILES
COC(=O)C(C)Oc1cc(C)ccc1COc1ccc(NC(=S)N2CCCCN2)c(F)c1- InChIKey
MFOPVYWFXBMWCR-UHFFFAOYSA-N- Molecular formula
- C23H28FN3O4S
- Average molar mass
- 461.6 g/mol
Names & identifiers
- Preferred name
- Methyl 2-[2-[4-(perhydropyridazin-1-ylthiocarbonylamino)-3-fluorophenoxy-methyl]-5-methylphenoxy]propionate
- IUPAC
- methyl 2-[2-[[4-(diazinane-1-carbothioylamino)-3-fluorophenoxy]methyl]-5-methylphenoxy]propanoate
Names & synonyms
SCHEMBL7846873MFOPVYWFXBMWCR-UHFFFAOYSA-Nmethyl 2-[2-[4-(perhydropyridazin-1-ylthiocarbonylamino)-3-fluorophenoxy-methyl]-5-methylphenoxy]propionatemethyl 2-[2-[4-(perhydropyridazin-1-ylthiocarbonylamino)-3-fluorophenoxymethyl]-5-methylphenoxy]propionate
Database identifiers
- PubChem CID
- 54069749
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 628
Related reactions
9 records
Compound notes
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