Chemical ID: 5754987

Cc1ccc(c(c1)C)N=C2NC(=O)C(=Cc3ccc(o3)c4cccc(c4)[N+](=O)[O-])S2
Chemical ID:
5754987
Name [?]:
2-(2,4-dimethylphenyl)imino-5-[[5-(3-nitrophenyl)-2-furyl]methylene]thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)C)N=C2NC(=O)C(=Cc3ccc(o3)c4cccc(c4)[N+](=O)[O-])S2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H17N3O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:6.56688
Area:634.833
Solvation:-9.30394
Coulombic:-45.6086
Bond Count [?]
All:33
Single:21
Double:12
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:419.454
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:4.18
LogP (Chemaxon):5.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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