Chemical ID: 4448762

CCN1C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])N(C)C)SC1=Nc3cccc(c3)C(=O)O
Chemical ID:
4448762
Name [?]:
3-[5-[(4-dimethylamino-3-nitro-phenyl)methylene]-3-ethyl-4-oxo-thiazolidin-2-ylidene]aminobenzoic acid
SMILES [?]:
CCN1C(=O)C(=Cc2ccc(c(c2)[N+](=O)[O-])N(C)C)SC1=Nc3cccc(c3)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H20N4O5S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:5.56871
Area:632.341
Solvation:-10.2398
Coulombic:-68.0927
Bond Count [?]
All:33
Single:22
Double:11
Rotors:6
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:440.473
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:3.25
LogP (Chemaxon):4.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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