tert-butyl 3-[(([1-methyl-5-(tritylamino)-1H-pyrazol-4-yl]amino}carbonyl)amino]-1-azetidinecarboxylate

HCID 21904516

Basic information

Standard SMILES
Cn1ncc(NC(=O)NC2CN(C(=O)OC(C)(C)C)C2)c1NC(c1ccccc1)(c1ccccc1)c1ccccc1
InChIKey
DXQIHANVZNJAJS-UHFFFAOYSA-N
Molecular formula
C32H36N6O3
Average molar mass
552.7 g/mol

Names & identifiers

Preferred name
tert-butyl 3-[(([1-methyl-5-(tritylamino)-1H-pyrazol-4-yl]amino}carbonyl)amino]-1-azetidinecarboxylate
IUPAC
tert-butyl 3-[[1-methyl-5-(tritylamino)pyrazol-4-yl]carbamoylamino]azetidine-1-carboxylate

Names & synonyms

tert-butyl 3-[(([1-methyl-5-(tritylamino)-1H-pyrazol-4-yl]amino}carbonyl)amino]-1-azetidinecarboxylatetert-butyl 3-[({[1-methyl-5-(tritylamino)-1H-pyrazol-4-yl]amino}carbonyl)amino]-1-azetidinecarboxylateSCHEMBL5493786DXQIHANVZNJAJS-UHFFFAOYSA-N

Database identifiers

PubChem CID
21904516

Properties

Computed structural properties

XLogP
5
Topological polar surface area
101 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
41

Related reactions

3 records

Compound notes

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