Chemical ID: 5316606

CCn1c(nnc1SCC(=O)Nc2cccc(c2C)Cl)CNC(=O)c3ccco3
Chemical ID:
5316606
Name [?]:
N-[[5-[(3-chloro-2-methyl-phenyl)carbamoylmethylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2cccc(c2C)Cl)CNC(=O)c3ccco3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20ClN5O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.6432
Area:671.385
Solvation:-4.14145
Coulombic:-62.516
Bond Count [?]
All:31
Single:22
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:433.913
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.67
LogP (Chemaxon):1.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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