Chemical ID: 5125949

CCOc1cc(ccc1OCc2ccccc2)C=NNc3nc(cs3)c4ccc(cc4)Br
Chemical ID:
5125949
Name [?]:
N-[(4-benzyloxy-3-ethoxy-phenyl)methyleneamino]-4-(4-bromophenyl)-thiazol-2-amine
SMILES [?]:
CCOc1cc(ccc1OCc2ccccc2)C=NNc3nc(cs3)c4ccc(cc4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H22BrN3O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.4708
Area:731.194
Solvation:-5.80903
Coulombic:-33.6478
Bond Count [?]
All:35
Single:23
Double:12
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:508.431
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:7.67
LogP (Chemaxon):7.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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