Basic information
- Standard SMILES
CC(=O)OCC(=O)N1CCC(c2nsc(Nc3ncc(Sc4ccccn4)cc3Oc3cccnc3C)n2)CC1- InChIKey
WBHNNYFZSJHTEI-UHFFFAOYSA-N- Molecular formula
- C27H27N7O4S2
- Average molar mass
- 577.7 g/mol
Names & identifiers
- Preferred name
- 2-(4-(5-(3-(2-Methylpyridin-3-yloxy)-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidin-1-yl)-2-oxoethyl acetate
- IUPAC
- [2-[4-[5-[[3-[(2-methyl-3-pyridinyl)oxy]-5-pyridin-2-ylsulfanyl-2-pyridinyl]amino]-1,2,4-thiadiazol-3-yl]piperidin-1-yl]-2-oxoethyl] acetate
Names & synonyms
SCHEMBL2661274WBHNNYFZSJHTEI-UHFFFAOYSA-N2-(4-(5-(3-(2-methylpyridin-3-yloxy)-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidin-1-yl)-2-oxoethyl acetate
Database identifiers
- PubChem CID
- 67487500
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 837
Related reactions
2 records
Compound notes
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