Chemical ID: 4548168

CC1=NN(C(=O)C1=c2n(c(=O)c(=C3N(c4cc(ccc4S3)OC)C)s2)CC=C)c5ccccc5
Chemical ID:
4548168
Name [?]:
4-[3-allyl-5-(5-methoxy-3-methyl-benzothiazol-2-ylidene)-4-oxo-thiazolidin-2-ylidene]-5-methyl-2-phenyl-pyrazol-3-one
SMILES [?]:
CC1=NN(C(=O)C1=c2n(c(=O)c(=C3N(c4cc(ccc4S3)OC)C)s2)CC=C)c5ccccc5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H22N4O3S2
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.3425
Area:687.012
Solvation:-3.8328
Coulombic:-49.443
Bond Count [?]
All:38
Single:26
Double:12
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:490.599
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:4.6
LogP (Chemaxon):6.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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