Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2nsc(Nc3ncc(Sc4ccccn4)cc3Oc3ccccc3)n2)CC1- InChIKey
XLYVNNFTLWKAIG-UHFFFAOYSA-N- Molecular formula
- C28H30N6O3S2
- Average molar mass
- 562.7 g/mol
- Monoisotopic mass
- 562.18208119
Names & identifiers
- Preferred name
- Tert-butyl 4-(5-(3-phenoxy-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate
- IUPAC
- tert-butyl 4-[5-[(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL1330248XLYVNNFTLWKAIG-UHFFFAOYSA-NTert-butyl 4-(5-(3-phenoxy-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 57742666
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 775
Related reactions
5 records
Compound notes
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