Chemical ID: 4880853

Cc1ccc(cc1)NC(=O)CSc2nnc(n2N)c3cccc(c3)OC(C)C
Chemical ID:
4880853
Name [?]:
2-[[4-amino-5-(3-isopropoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(p-tolyl)acetamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)CSc2nnc(n2N)c3cccc(c3)OC(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H23N5O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.9708
Area:639.536
Solvation:-4.01758
Coulombic:-51.6291
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:397.495
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:3.82
LogP (Chemaxon):3.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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