Chemical ID: 4891391

COc1cccc(c1OC)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Br
Chemical ID:
4891391
Name [?]:
2-(4-bromophenyl)amino-5-[(2,3-dimethoxyphenyl)methylene]thiazol-4-one
SMILES [?]:
COc1cccc(c1OC)C=C2C(=O)N=C(S2)Nc3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H15BrN2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.82058
Area:565.897
Solvation:-4.32685
Coulombic:-44.6424
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:419.293
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.71
LogP (Chemaxon):4.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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