Chemical ID: 5042903

CCn1c(=O)c(=C2N(c3cc(ccc3S2)Cl)C)sc1=C4C(=NN(C4=O)C)C
Chemical ID:
5042903
Name [?]:
5-(5-chloro-3-methyl-benzothiazol-2-ylidene)-2-(1,3-dimethyl-5-oxo-pyrazol-4-ylidene)-3-ethyl-thiazolidin-4-one
SMILES [?]:
CCn1c(=O)c(=C2N(c3cc(ccc3S2)Cl)C)sc1=C4C(=NN(C4=O)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H17ClN4O2S2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.0065
Area:584.402
Solvation:-2.60357
Coulombic:-39.6289
Bond Count [?]
All:30
Single:22
Double:8
Rotors:1
Chiral:2
Rigid Segments:2
Chemical Properties
Molecular Weight:420.938
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.55
LogP (Chemaxon):4.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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