Chemical ID: 4490934

Cc1ccc(cc1NC(=O)CSc2nnc(n2CC=C)c3cc4ccccc4o3)F
Chemical ID:
4490934
Name [?]:
2-[(4-allyl-5-benzofuran-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(5-fluoro-2-methyl-phenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1NC(=O)CSc2nnc(n2CC=C)c3cc4ccccc4o3)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H19FN4O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.9851
Area:643.714
Solvation:-4.1078
Coulombic:-47.1773
Bond Count [?]
All:33
Single:22
Double:11
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:422.476
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.59
LogP (Chemaxon):4.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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