Chemical ID: 4970620

CC1=NN(C(=O)C1=c2n(c(=O)c(=C3N(c4ccccc4S3)C)s2)CC=C)c5cccc(c5)[N+](=O)[O-]
Chemical ID:
4970620
Name [?]:
4-[3-allyl-5-(3-methylbenzothiazol-2-ylidene)-4-oxo-thiazolidin-2-ylidene]-5-methyl-2-(3-nitrophenyl)-pyrazol-3-one
SMILES [?]:
CC1=NN(C(=O)C1=c2n(c(=O)c(=C3N(c4ccccc4S3)C)s2)CC=C)c5cccc(c5)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H19N5O4S2
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:9.06039
Area:702.754
Solvation:-8.50847
Coulombic:-52.7279
Bond Count [?]
All:39
Single:26
Double:13
Rotors:4
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:505.571
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:4.46
LogP (Chemaxon):6.25

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Descriptor Annotations

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