Chemical ID: 5978314

Cc1ccc(cc1)n2c(nnc2SCc3ccc(cc3)F)C(C)NC(=O)Nc4ccccc4
Chemical ID:
5978314
Name [?]:
1-[1-[5-[(4-fluorophenyl)methylsulfanyl]-4-(p-tolyl)-1,2,4-triazol-3-yl]ethyl]-3-phenyl-urea
SMILES [?]:
Cc1ccc(cc1)n2c(nnc2SCc3ccc(cc3)F)C(C)NC(=O)Nc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H24FN5OS
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:14.3614
Area:713.721
Solvation:-3.48163
Coulombic:-53.7217
Bond Count [?]
All:36
Single:24
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:461.556
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:6.85
LogP (Chemaxon):5.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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