Ethyl {[(5-{3-[(tert-butoxycarbonyl)amino]-4-chlorophenoxy}pyridin-2-yl)amino]carbonothioyl}carbamate

HCID 57749196

Basic information

Standard SMILES
CCOC(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)c(NC(=O)OC(C)(C)C)c2)cn1
InChIKey
YWTPAGHLSJLZEW-UHFFFAOYSA-N
Molecular formula
C20H23ClN4O5S
Average molar mass
466.9 g/mol

Names & identifiers

Preferred name
Ethyl {[(5-{3-[(tert-butoxycarbonyl)amino]-4-chlorophenoxy}pyridin-2-yl)amino]carbonothioyl}carbamate
IUPAC
tert-butyl N-[2-chloro-5-[[6-(ethoxycarbonylcarbamothioylamino)-3-pyridinyl]oxy]phenyl]carbamate

Names & synonyms

SCHEMBL13636124YWTPAGHLSJLZEW-UHFFFAOYSA-Nethyl {[(5-{3-[(tert-butoxycarbonyl)amino]-4-chlorophenoxy}pyridin-2-yl)amino]carbonothioyl}carbamateethyl{[(5-{3-[(tert-butoxycarbonyl)amino]-4-chlorophenoxy}pyridin-2-yl)amino]carbonothioyl}carbamate

Database identifiers

PubChem CID
57749196

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
143 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
31

Related reactions

3 records

Linked notes

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