Chemical ID: 4400446

CCOc1cc(ccc1OCC=C)C=C2C(=O)N=C(S2)Nc3ccccc3Cl
Chemical ID:
4400446
Name [?]:
5-[(4-allyloxy-3-ethoxy-phenyl)methylene]-2-(2-chlorophenyl)amino-thiazol-4-one
SMILES [?]:
CCOc1cc(ccc1OCC=C)C=C2C(=O)N=C(S2)Nc3ccccc3Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19ClN2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.1302
Area:646.153
Solvation:-5.02361
Coulombic:-46.493
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:414.906
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.58
LogP (Chemaxon):5.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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