[6,7-Dimethoxy-4-(4-phenyl-thiazol-2-ylamino)isoquinolin-1-ylmethyl]carbamic acid tert-butyl ester

HCID 59341076
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Basic information

Standard SMILES
COc1cc2c(Nc3nc(-c4ccccc4)cs3)cnc(CNC(=O)OC(C)(C)C)c2cc1OC
InChIKey
SMGAGDHVCXRHJX-UHFFFAOYSA-N
Molecular formula
C26H28N4O4S
Average molar mass
492.6 g/mol

Names & identifiers

Preferred name
[6,7-Dimethoxy-4-(4-phenyl-thiazol-2-ylamino)isoquinolin-1-ylmethyl]carbamic acid tert-butyl ester
IUPAC
tert-butyl N-[[6,7-dimethoxy-4-[(4-phenyl-1,3-thiazol-2-yl)amino]isoquinolin-1-yl]methyl]carbamate

Names & synonyms

SCHEMBL3361170SMGAGDHVCXRHJX-UHFFFAOYSA-N[6,7-dimethoxy-4-(4-phenyl-thiazol-2-ylamino)isoquinolin-1-ylmethyl]carbamic acid tert-butyl ester

Database identifiers

PubChem CID
59341076

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
123 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
35

Related reactions

3 records
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Linked notes

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