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1,1-dimethylethyl 3-{[({3-[(3-{[(5-chloro-2-thienyl)sulfonyl]amino}-4-hydroxy-1H-indazol-1-yl)methyl]phenyl}methyl)amino]carbonyl}-4-morpholinecarboxylate

HCID 136346360
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCOCC1C(=O)NCc1cccc(Cn2nc(NS(=O)(=O)c3ccc(Cl)s3)c3c(O)cccc32)c1
InChIKey
MCRZRPNGVCJVTL-UHFFFAOYSA-N
Molecular formula
C29H32ClN5O7S2
Average molar mass
662.2 g/mol

Names & identifiers

Preferred name
1,1-dimethylethyl 3-{[({3-[(3-{[(5-chloro-2-thienyl)sulfonyl]amino}-4-hydroxy-1H-indazol-1-yl)methyl]phenyl}methyl)amino]carbonyl}-4-morpholinecarboxylate
IUPAC
tert-butyl 3-[[3-[[3-[(5-chlorothiophen-2-yl)sulfonylamino]-4-hydroxyindazol-1-yl]methyl]phenyl]methylcarbamoyl]morpholine-4-carboxylate

Names & synonyms

SCHEMBL357890MCRZRPNGVCJVTL-UHFFFAOYSA-N1,1-dimethylethyl 3-{[({3-[(3-{[(5-chloro-2-thienyl)sulfonyl]amino}-4-hydroxy-1H-indazol-1-yl)methyl]phenyl}methyl)amino]carbonyl}-4-morpholinecarboxylate

Database identifiers

PubChem CID
136346360

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
189 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
10
Rotatable bonds
10
Heavy atoms
44
Formal charge
0
Complexity
1,120

Related reactions

3 records
New reaction record
HRID 1808617 reaction equation
HRID 1808617As reactantuspto-grants-2013_01
HRID 1874723 reaction equation
HRID 1874723As reactantuspto-grants-2012_11
HRID 1892958 reaction equation
HRID 1892958As reactantuspto-grants-2013_08

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes