{6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZIN-3-YL}CARBAMIC Acid Butyl Ester

HCID 66849865
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Basic information

Standard SMILES
CCCCOC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1
InChIKey
VFLFJFVCZQFPQK-UHFFFAOYSA-N
Molecular formula
C21H24F3N5O3
Average molar mass
451.4 g/mol
Monoisotopic mass
451.18312413

Names & identifiers

Preferred name
{6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZIN-3-YL}CARBAMIC Acid Butyl Ester
IUPAC
butyl N-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-yl]carbamate

Names & synonyms

{6-[4-(2-TRIFLUOROMETHYLBENZOYL)PIPERAZIN-1-YL]PYRIDAZIN-3-YL}CARBAMIC Acid Butyl EsterSCHEMBL938162

Database identifiers

PubChem CID
66849865

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
87.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
7
Heavy atoms
32

Related reactions

5 records
New reaction record

Linked notes

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