Chemical ID: 6277123

CS(=O)(=O)c1ccc2c(c1)sc(=NC(=O)CCSc3ccccc3)n2CC#C
Chemical ID:
6277123
Name [?]:
N-(6-methylsulfonyl-3-prop-2-ynyl-benzothiazol-2-ylidene)-3-phenylsulfanyl-propanamide
SMILES [?]:
CS(=O)(=O)c1ccc2c(c1)sc(=NC(=O)CCSc3ccccc3)n2CC#C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H18N2O3S3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.1182
Area:658.777
Solvation:-4.35124
Coulombic:-28.1279
Bond Count [?]
All:30
Single:19
Double:10
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:430.567
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.24
LogP (Chemaxon):4.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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