Chemical ID: 4995472

COc1cc(ncn1)NS(=O)(=O)c2ccc(cc2)NC(=S)NC(=O)C=Cc3ccccc3
Chemical ID:
4995472
Name [?]:
N-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoyl]-3-phenyl-prop-2-enamide
SMILES [?]:
COc1cc(ncn1)NS(=O)(=O)c2ccc(cc2)NC(=S)NC(=O)C=Cc3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19N5O4S2
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:11.0146
Area:658.047
Solvation:-5.43662
Coulombic:-62.9516
Bond Count [?]
All:34
Single:20
Double:14
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:469.539
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:3.49
LogP (Chemaxon):3.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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