Chemical ID: 5492763

CC(C)(C)c1ccc(cc1)OCC(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-]
Chemical ID:
5492763
Name [?]:
N-[4-(3-nitrophenyl)thiazol-2-yl]-2-(4-tert-butylphenoxy)-acetamide
SMILES [?]:
CC(C)(C)c1ccc(cc1)OCC(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21N3O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:6.29766
Area:651.05
Solvation:-9.97859
Coulombic:-46.5634
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:411.475
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:5.1
LogP (Chemaxon):5.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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