Chemical ID: 5548871

Cn1c(nnc1SCC(=O)NCc2ccccc2)CC(=O)Nc3ccc(c(c3)Cl)Cl
Chemical ID:
5548871
Name [?]:
N-benzyl-2-[[5-[(3,4-dichlorophenyl)carbamoylmethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
SMILES [?]:
Cn1c(nnc1SCC(=O)NCc2ccccc2)CC(=O)Nc3ccc(c(c3)Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H19Cl2N5O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.8612
Area:708.555
Solvation:-4.85265
Coulombic:-52.3977
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:4.76
LogP (Chemaxon):3.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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