Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCC(=O)N1CCC(c2nsc(Nc3ncc(Sc4ccccn4)cc3Oc3ccccc3)n2)CC1- InChIKey
MUKWMXPIYBOQJU-UHFFFAOYSA-N- Molecular formula
- C30H33N7O4S2
- Average molar mass
- 619.8 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 2-oxo-2-(4-(5-(3-phenoxy-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidin-1-yl)ethylcarbamate
- IUPAC
- tert-butyl N-[2-oxo-2-[4-[5-[(3-phenoxy-5-pyridin-2-ylsulfanyl-2-pyridinyl)amino]-1,2,4-thiadiazol-3-yl]piperidin-1-yl]ethyl]carbamate
Names & synonyms
SCHEMBL1330395MUKWMXPIYBOQJU-UHFFFAOYSA-Ntert-Butyl 2-oxo-2-(4-(5-(3-phenoxy-5-(pyridin-2-ylthio)pyridin-2-ylamino)-1,2,4-thiadiazol-3-yl)piperidin-1-yl)ethylcarbamate
Database identifiers
- PubChem CID
- 57742767
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 898
Related reactions
6 records
Compound notes
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