Chemical ID: 4869370

CC(=O)c1ccc(c(c1)CSc2nnc(n2c3ccccc3)c4cc5ccccc5o4)OC
Chemical ID:
4869370
Name [?]:
1-[3-[(5-benzofuran-2-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-methoxy-phenyl]ethanone
SMILES [?]:
CC(=O)c1ccc(c(c1)CSc2nnc(n2c3ccccc3)c4cc5ccccc5o4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H21N3O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:12.5256
Area:691.158
Solvation:-4.75335
Coulombic:-37.888
Bond Count [?]
All:37
Single:24
Double:13
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:455.529
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.88
LogP (Chemaxon):5.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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