Chemical ID: 5157541

Cc1ccc(cc1)c2nnc(n2C)SCC(=O)Nc3cccc(c3)C(=O)OC
Chemical ID:
5157541
Name [?]:
methyl 3-[2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminobenzoate
SMILES [?]:
Cc1ccc(cc1)c2nnc(n2C)SCC(=O)Nc3cccc(c3)C(=O)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H20N4O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.8965
Area:632.778
Solvation:-3.92297
Coulombic:-53.0071
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:396.464
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.9
LogP (Chemaxon):3.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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