Chemical ID: 5402887

CCn1c(nnc1SCC(=O)Nc2cccc(c2)Cl)CC(=O)Nc3ccccc3Cl
Chemical ID:
5402887
Name [?]:
N-(3-chlorophenyl)-2-[[5-[(2-chlorophenyl)carbamoylmethyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2cccc(c2)Cl)CC(=O)Nc3ccccc3Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19Cl2N5O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.9854
Area:693.392
Solvation:-4.34941
Coulombic:-52.3569
Bond Count [?]
All:32
Single:22
Double:10
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:464.369
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:5.04
LogP (Chemaxon):3.41

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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