Chemical ID: 6892957

CCCCOc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(c(c3)OC)OCC
Chemical ID:
6892957
Name [?]:
N-[4-(4-butoxyphenyl)thiazol-2-yl]-3-(4-ethoxy-3-methoxy-phenyl)-prop-2-enamide
SMILES [?]:
CCCCOc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(c(c3)OC)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H28N2O4S
All Atoms:60
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:10.757
Area:721.702
Solvation:-7.28559
Coulombic:-49.5631
Bond Count [?]
All:34
Single:24
Double:10
Rotors:12
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:452.567
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.35
LogP (Chemaxon):5.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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