tert-Butyl 5-methyl-7-(6-oxo-4-(4-(trifluoromethyl)phenyl)pyridazin-1(6H)-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate

HCID 57950397
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Basic information

Standard SMILES
Cn1c2c(c3ccc(-n4ncc(-c5ccc(C(F)(F)F)cc5)cc4=O)cc31)CN(C(=O)OC(C)(C)C)CC2
InChIKey
MRYWWNWCNMDZQC-UHFFFAOYSA-N
Molecular formula
C28H27F3N4O3
Average molar mass
524.5 g/mol

Names & identifiers

Preferred name
tert-Butyl 5-methyl-7-(6-oxo-4-(4-(trifluoromethyl)phenyl)pyridazin-1(6H)-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylate
IUPAC
tert-butyl 5-methyl-7-[6-oxo-4-[4-(trifluoromethyl)phenyl]pyridazin-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate

Names & synonyms

tert-Butyl 5-methyl-7-(6-oxo-4-(4-(trifluoromethyl)phenyl)pyridazin-1(6H)-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole-2(5H)-carboxylateSCHEMBL11425996

Database identifiers

PubChem CID
57950397

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
67.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
4
Heavy atoms
38

Related reactions

2 records
New reaction record

Compound notes

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