Chemical ID: 5492764

Cc1ccc(c(c1)OCC(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-])C(C)C
Chemical ID:
5492764
Name [?]:
2-(2-isopropyl-5-methyl-phenoxy)-N-[4-(3-nitrophenyl)thiazol-2-yl]-acetamide
SMILES [?]:
Cc1ccc(c(c1)OCC(=O)Nc2nc(cs2)c3cccc(c3)[N+](=O)[O-])C(C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H21N3O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:6.33481
Area:653.525
Solvation:-10.0033
Coulombic:-46.3779
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:4.91
LogP (Chemaxon):5.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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