Chemical ID: 6185508

COc1ccc(cc1)C(=O)NCc2nnc(n2c3ccc(cc3)OC)SCc4ccc(cc4)F
Chemical ID:
6185508
Name [?]:
N-[[5-[(4-fluorophenyl)methylsulfanyl]-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide
SMILES [?]:
COc1ccc(cc1)C(=O)NCc2nnc(n2c3ccc(cc3)OC)SCc4ccc(cc4)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H23FN4O3S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:12.0435
Area:732.547
Solvation:-6.27017
Coulombic:-53.4391
Bond Count [?]
All:37
Single:25
Double:12
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:478.54
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.23
LogP (Chemaxon):3.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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