Chemical ID: 5550614

Cn1c(nnc1SCC(=O)Nc2ccccc2C(=O)OC)c3ccccc3
Chemical ID:
5550614
Name [?]:
methyl 2-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]aminobenzoate
SMILES [?]:
Cn1c(nnc1SCC(=O)Nc2ccccc2C(=O)OC)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H18N4O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.6322
Area:602.938
Solvation:-3.4413
Coulombic:-53.9988
Bond Count [?]
All:29
Single:19
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:382.437
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.9
LogP (Chemaxon):3.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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