ethyl ({[5-(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenoxy)pyridin-2-yl]amino}carbonothioyl)carbamate

HCID 57749218

Basic information

Standard SMILES
CCOC(=O)NC(=S)Nc1ccc(Oc2cccc(NC(=O)c3cc(C)nn3C)c2)cn1
InChIKey
PZHHVMBUOORJSN-UHFFFAOYSA-N
Molecular formula
C21H22N6O4S
Average molar mass
454.5 g/mol

Names & identifiers

Preferred name
ethyl ({[5-(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenoxy)pyridin-2-yl]amino}carbonothioyl)carbamate
IUPAC
ethyl N-[[5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenoxy]-2-pyridinyl]carbamothioyl]carbamate

Names & synonyms

SCHEMBL3681543PZHHVMBUOORJSN-UHFFFAOYSA-Nethyl ({[5-(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}phenoxy)pyridin-2-yl]amino}carbonothioyl)carbamate

Database identifiers

PubChem CID
57749218

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
151 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
32

Related reactions

3 records

Compound notes

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