Basic information
- Standard SMILES
CCOC(=O)NC1CCC(NC(=O)c2cc(F)cnc2Oc2cccc(SC)c2)CC1- InChIKey
DMZMJYLCKVWCNO-UHFFFAOYSA-N- Molecular formula
- C22H26FN3O4S
- Average molar mass
- 447.5 g/mol
Names & identifiers
- Preferred name
- (cis-4-{[5-Fluoro-2-(3-methylsulfanyl-phenoxy)-pyridine-3-carbonyl]-amino}-cyclohexyl)-carbamic acid ethyl ester
- IUPAC
- ethyl N-[4-[[5-fluoro-2-(3-methylsulfanylphenoxy)pyridine-3-carbonyl]amino]cyclohexyl]carbamate
Names & synonyms
SCHEMBL5840439SCHEMBL5840451DMZMJYLCKVWCNO-IYBDPMFKSA-N(cis-4-{[5-Fluoro-2-(3-methylsulfanyl-phenoxy)-pyridine-3-carbonyl]-amino}-cyclohexyl)-carbamic acid ethyl ester
Database identifiers
- PubChem CID
- 58746183
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 591
Related reactions
1 records
Compound notes
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