Chemical ID: 5925162

COc1ccc(cc1)n2c(nnc2SCCCC(=O)NCc3ccccc3)c4cccc(c4)OC
Chemical ID:
5925162
Name [?]:
N-benzyl-4-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]butanamide
SMILES [?]:
COc1ccc(cc1)n2c(nnc2SCCCC(=O)NCc3ccccc3)c4cccc(c4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H28N4O3S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:13.6099
Area:768.218
Solvation:-5.59556
Coulombic:-49.678
Bond Count [?]
All:38
Single:26
Double:12
Rotors:12
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:488.602
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:6.79
LogP (Chemaxon):4.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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