Chemical ID: 3842666

CCOC(=O)c1ccc(cc1)NC(=O)CSc2nnc(n2c3ccccc3)C
Chemical ID:
3842666
Name [?]:
ethyl 4-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)CSc2nnc(n2c3ccccc3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H20N4O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.2618
Area:639.525
Solvation:-3.72633
Coulombic:-51.8534
Bond Count [?]
All:30
Single:20
Double:10
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:396.464
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.74
LogP (Chemaxon):2.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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