Chemical ID: 5881114

CCCCN(CC(=O)Nc1cc(nn1c2ccccc2C)C(C)(C)C)C(=O)c3ccccc3F
Chemical ID:
5881114
Name [?]:
N-butyl-2-fluoro-N-[[2-(o-tolyl)-5-tert-butyl-pyrazol-3-yl]carbamoylmethyl]benzamide
SMILES [?]:
CCCCN(CC(=O)Nc1cc(nn1c2ccccc2C)C(C)(C)C)C(=O)c3ccccc3F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H33FN4O2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.7512
Area:723.976
Solvation:-5.34819
Coulombic:-47.8183
Bond Count [?]
All:36
Single:26
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:464.575
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.57
LogP (Chemaxon):6.01

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Experimental Annotations

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Descriptor Annotations

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