Chemical ID: 6185544

CCCCSc1nnc(n1c2ccccc2Cl)CNC(=O)c3ccc(cc3)OC
Chemical ID:
6185544
Name [?]:
N-[[5-butylsulfanyl-4-(2-chlorophenyl)-1,2,4-triazol-3-yl]methyl]-4-methoxy-benzamide
SMILES [?]:
CCCCSc1nnc(n1c2ccccc2Cl)CNC(=O)c3ccc(cc3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H23ClN4O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:13.2015
Area:673.945
Solvation:-3.6471
Coulombic:-43.9432
Bond Count [?]
All:31
Single:22
Double:9
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:430.952
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.62
LogP (Chemaxon):3.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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