Chemical ID: 3854381

c1ccc(cc1)Cn2c(nnc2SCC(=O)O)COc3ccccc3
Chemical ID:
3854381
Name [?]:
2-[[4-benzyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
SMILES [?]:
c1ccc(cc1)Cn2c(nnc2SCC(=O)O)COc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H17N3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.53297
Area:553.332
Solvation:-4.30032
Coulombic:-47.8461
Bond Count [?]
All:27
Single:18
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:355.412
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.57
LogP (Chemaxon):3.03

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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