Chemical ID: 4789848

CCOc1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)c3cccc(c3)C
Chemical ID:
4789848
Name [?]:
2-[[4-allyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-ethoxyphenyl)-acetamide
SMILES [?]:
CCOc1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)c3cccc(c3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H24N4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.457
Area:660.07
Solvation:-4.04473
Coulombic:-42.5958
Bond Count [?]
All:31
Single:21
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:408.518
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.92
LogP (Chemaxon):4.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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