Basic information
- Standard SMILES
CC(=O)N1CCC(c2nsc(Nc3ncc(Sc4ccccn4)cc3Oc3ccccc3)n2)CC1- InChIKey
MGSFDMFRYXZHBE-UHFFFAOYSA-N- Molecular formula
- C25H24N6O2S2
- Average molar mass
- 504.6 g/mol
- Monoisotopic mass
- 504.14021638
Names & identifiers
- Preferred name
- 1-(4-(5-(3-Phenoxy-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidin-1-yl)ethanone
- IUPAC
- 1-[4-[5-[(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]piperidin-1-yl]ethanone
Names & synonyms
CHEMBL4638110SCHEMBL1329603MGSFDMFRYXZHBE-UHFFFAOYSA-NBDBM505401951-(4-(5-(3-phenoxy-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidin-1-yl)ethanone
Database identifiers
- PubChem CID
- 57742634
- ChEMBL
CHEMBL4638110
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 676
Related reactions
4 records
Compound notes
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