Chemical ID: 5548777

Cn1c(nnc1SCC(=O)Nc2ccccc2Cl)CNC(=O)C=Cc3ccccc3Cl
Chemical ID:
5548777
Name [?]:
3-(2-chlorophenyl)-N-[[5-[(2-chlorophenyl)carbamoylmethylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]prop-2-enamide
SMILES [?]:
Cn1c(nnc1SCC(=O)Nc2ccccc2Cl)CNC(=O)C=Cc3ccccc3Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19Cl2N5O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.9099
Area:715.75
Solvation:-3.98388
Coulombic:-55.8456
Bond Count [?]
All:33
Single:22
Double:11
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:476.379
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.22
LogP (Chemaxon):2.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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