4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-N-(3-pyridazinyl)-1,3,5-triazin-2-amine

HCID 58102778
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Basic information

Standard SMILES
COc1cccc2c1nc(C(F)F)n2-c1nc(Nc2cccnn2)nc(N2CCOCC2)n1
InChIKey
XVBNYYMLKCVWSL-UHFFFAOYSA-N
Molecular formula
C20H19F2N9O2
Average molar mass
455.4 g/mol

Names & identifiers

Preferred name
4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-N-(3-pyridazinyl)-1,3,5-triazin-2-amine
IUPAC
4-[2-(difluoromethyl)-4-methoxybenzimidazol-1-yl]-6-morpholin-4-yl-N-pyridazin-3-yl-1,3,5-triazin-2-amine

Names & synonyms

4-[2-(difluoromethyl)-4-methoxy-1H-benzimidazol-1-yl]-6-(4-morpholinyl)-N-(3-pyridazinyl)-1,3,5-triazin-2-amineSCHEMBL996982

Database identifiers

PubChem CID
58102778

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
116 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
12
Rotatable bonds
6
Heavy atoms
33

Related reactions

2 records
New reaction record

Linked notes

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