Chemical ID: 4852321

CC(C)c1ccc(cc1)C=C2C(=O)N(C(=Nc3cccc(c3)C(=O)O)S2)C
Chemical ID:
4852321
Name [?]:
3-[5-[(4-isopropylphenyl)methylene]-3-methyl-4-oxo-thiazolidin-2-ylidene]aminobenzoic acid
SMILES [?]:
CC(C)c1ccc(cc1)C=C2C(=O)N(C(=Nc3cccc(c3)C(=O)O)S2)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20N2O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.9211
Area:589.882
Solvation:-2.82595
Coulombic:-53.4137
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:380.461
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.25
LogP (Chemaxon):5.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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