Chemical ID: 3846016

CCOC(=O)c1ccc(cc1)NC(=O)CSc2nnc(n2c3ccc(cc3)OC)C
Chemical ID:
3846016
Name [?]:
ethyl 4-[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]aminobenzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)CSc2nnc(n2c3ccc(cc3)OC)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H22N4O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.8737
Area:678.042
Solvation:-5.07732
Coulombic:-57.9009
Bond Count [?]
All:32
Single:22
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:426.49
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.65
LogP (Chemaxon):2.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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