Chemical ID: 3639806

COc1ccc(cc1)OCc2nnc(n2c3ccccc3)SCC(=O)Nc4ccccc4OC
Chemical ID:
3639806
Name [?]:
2-[[5-[(4-methoxyphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methoxyphenyl)-acetamide
SMILES [?]:
COc1ccc(cc1)OCc2nnc(n2c3ccccc3)SCC(=O)Nc4ccccc4OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H24N4O4S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.5897
Area:734.799
Solvation:-6.78026
Coulombic:-55.698
Bond Count [?]
All:37
Single:25
Double:12
Rotors:11
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:476.549
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.61
LogP (Chemaxon):3.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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