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

HCID 57742767

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

Related reactions

6 records

Compound notes

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