Chemical ID: 5981688

CC1CN(CC(O1)C)C(=O)c2cc(nn2c3ccc(cc3)Cl)c4ccccc4F
Chemical ID:
5981688
Name [?]:
[2-(4-chlorophenyl)-5-(2-fluorophenyl)-pyrazol-3-yl]-(2,6-dimethylmorpholin-4-yl)-methanone
SMILES [?]:
CC1CN(CC(O1)C)C(=O)c2cc(nn2c3ccc(cc3)Cl)c4ccccc4F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H21ClFN3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:10.0784
Area:610.537
Solvation:-5.18503
Coulombic:-35.6894
Bond Count [?]
All:32
Single:23
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:413.872
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.88
LogP (Chemaxon):4.14

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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