Chemical ID: 3854373

COc1ccc(cc1)NC(=O)CSc2nnc(n2Cc3ccccc3)COc4ccccc4
Chemical ID:
3854373
Name [?]:
2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxyphenyl)-acetamide
SMILES [?]:
COc1ccc(cc1)NC(=O)CSc2nnc(n2Cc3ccccc3)COc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H24N4O3S
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.4748
Area:696.372
Solvation:-5.93454
Coulombic:-49.0956
Bond Count [?]
All:36
Single:24
Double:12
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:460.549
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.84
LogP (Chemaxon):4.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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