Chemical ID: 5418048

CCn1c(nnc1SCC(=O)c2ccc(cc2)OC)CNC(=O)c3ccccc3OC
Chemical ID:
5418048
Name [?]:
N-[[4-ethyl-5-[2-(4-methoxyphenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-2-methoxy-benzamide
SMILES [?]:
CCn1c(nnc1SCC(=O)c2ccc(cc2)OC)CNC(=O)c3ccccc3OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H24N4O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:10.344
Area:692.138
Solvation:-6.95944
Coulombic:-55.4134
Bond Count [?]
All:33
Single:23
Double:10
Rotors:11
Chiral:0
Rigid Segments:10
Chemical Properties
Molecular Weight:440.517
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.54
LogP (Chemaxon):1.76

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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