Chemical ID: 6891867

CCOc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(c(c3)OC)OCc4ccccc4
Chemical ID:
6891867
Name [?]:
3-(4-benzyloxy-3-methoxy-phenyl)-N-[4-(4-ethoxyphenyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccc(c(c3)OC)OCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C28H26N2O4S
All Atoms:61
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:11.0505
Area:752.482
Solvation:-7.76151
Coulombic:-50.5745
Bond Count [?]
All:38
Single:25
Double:13
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:486.583
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.71
LogP (Chemaxon):6.4

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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