Chemical ID: 4479490

CCn1c(nnc1SCc2ccc(cc2)Cl)CC(=O)Nc3ccc(c(c3)Cl)Cl
Chemical ID:
4479490
Name [?]:
2-[5-[(4-chlorophenyl)methylsulfanyl]-4-ethyl-1,2,4-triazol-3-yl]-N-(3,4-dichlorophenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCc2ccc(cc2)Cl)CC(=O)Nc3ccc(c(c3)Cl)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17Cl3N4OS
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.4267
Area:675.655
Solvation:-3.4647
Coulombic:-33.375
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:455.789
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.63
LogP (Chemaxon):5.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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