Chemical ID: 6633437

CCN1c2ccccc2SC1=CC(=Cc3[n+](c4ccccc4s3)CCC(C)S(=O)(=O)[O-])C
Chemical ID:
6633437
Name [?]:
4-[2-[3-(3-ethylbenzothiazol-2-ylidene)-2-methyl-prop-1-enyl]benzothiazol-3-yl]butane-2-sulfonate
SMILES [?]:
CCN1c2ccccc2SC1=CC(=Cc3[n+](c4ccccc4s3)CCC(C)S(=O)(=O)[O-])C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H26N2O3S3
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:-15.023
Area:642.755
Solvation:-31.0919
Coulombic:-8.67109
Bond Count [?]
All:35
Single:24
Double:11
Rotors:7
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:486.673
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.72
LogP (Chemaxon):2.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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