Chemical ID: 4970560

CCn1c(=O)c(=C2N(c3ccccc3S2)C)sc1=C4C(=NN(C4=O)c5cccc(c5)[N+](=O)[O-])C
Chemical ID:
4970560
Name [?]:
3-ethyl-5-(3-methylbenzothiazol-2-ylidene)-2-[3-methyl-1-(3-nitrophenyl)-5-oxo-pyrazol-4-ylidene]-thiazolidin-4-one
SMILES [?]:
CCn1c(=O)c(=C2N(c3ccccc3S2)C)sc1=C4C(=NN(C4=O)c5cccc(c5)[N+](=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H19N5O4S2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:8.83819
Area:683.126
Solvation:-8.23996
Coulombic:-51.4987
Bond Count [?]
All:38
Single:26
Double:12
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:493.56
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:4.27
LogP (Chemaxon):5.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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