Chemical ID: 5455837

Cc1ccc(cc1)OCc2[nH]c(nn2)SC(C)C(=O)Nc3cccc(c3Cl)Cl
Chemical ID:
5455837
Name [?]:
N-(2,3-dichlorophenyl)-2-[[5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl]sulfanyl]propanamide
SMILES [?]:
Cc1ccc(cc1)OCc2[nH]c(nn2)SC(C)C(=O)Nc3cccc(c3Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H18Cl2N4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:13.0727
Area:660.533
Solvation:-3.44062
Coulombic:-47.1505
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:437.343
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.88
LogP (Chemaxon):3.93

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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