Chemical ID: 4970576

CCn1c(=O)c(=C2N(c3ccccc3S2)C)sc1=C4C(=NN(C4=O)c5ccccc5)CC(=O)OCC
Chemical ID:
4970576
Name [?]:
ethyl 2-[4-[3-ethyl-5-(3-methylbenzothiazol-2-ylidene)-4-oxo-thiazolidin-2-ylidene]-5-oxo-1-phenyl-pyrazol-3-yl]acetate
SMILES [?]:
CCn1c(=O)c(=C2N(c3ccccc3S2)C)sc1=C4C(=NN(C4=O)c5ccccc5)CC(=O)OCC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H24N4O4S2
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:14.489
Area:737.148
Solvation:-3.93972
Coulombic:-58.5383
Bond Count [?]
All:40
Single:28
Double:12
Rotors:6
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:520.625
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.44
LogP (Chemaxon):6.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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