Chemical ID: 6183193

CSc1nnc(n1c2cccc(c2)Cl)CNC(=O)c3cccc4c3cccc4
Chemical ID:
6183193
Name [?]:
N-[[4-(3-chlorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]naphthalene-1-carboxamide
SMILES [?]:
CSc1nnc(n1c2cccc(c2)Cl)CNC(=O)c3cccc4c3cccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H17ClN4OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.3232
Area:626.209
Solvation:-2.33202
Coulombic:-37.416
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:408.905
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.68
LogP (Chemaxon):4.11

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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