Chemical ID: 4450604

CN(c1ccc(cc1)O)C2=NC(=O)C(=Cc3ccc(c(c3)OC)OCC(=O)O)S2
Chemical ID:
4450604
Name [?]:
2-[4-[[2-[(4-hydroxyphenyl)-methyl-amino]-4-oxo-thiazol-5-ylidene]methyl]-2-methoxy-phenoxy]acetic acid
SMILES [?]:
CN(c1ccc(cc1)O)C2=NC(=O)C(=Cc3ccc(c(c3)OC)OCC(=O)O)S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18N2O6S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:8.02891
Area:635.652
Solvation:-7.86239
Coulombic:-79.7751
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:414.433
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.45
LogP (Chemaxon):3.65

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Experimental Annotations

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Descriptor Annotations

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