Chemical ID: 5131387

COc1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccc(cc3)Cl)Cc4ccccc4
Chemical ID:
5131387
Name [?]:
2-[[5-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chlorophenyl)-acetamide
SMILES [?]:
COc1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccc(cc3)Cl)Cc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H21ClN4O2S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:12.9063
Area:698.86
Solvation:-4.56521
Coulombic:-40.9311
Bond Count [?]
All:35
Single:23
Double:12
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:464.968
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.45
LogP (Chemaxon):4.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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