Chemical ID: 4677461

COc1ccc(cc1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)Cc2ccccc2
Chemical ID:
4677461
Name [?]:
2-phenyl-N-[2,2,2-trichloro-1-[(4-methoxyphenyl)thiocarbamoylamino]ethyl]-acetamide
SMILES [?]:
COc1ccc(cc1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)Cc2ccccc2
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H18Cl3N3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:11.9234
Area:640.474
Solvation:-4.08844
Coulombic:-56.4067
Bond Count [?]
All:28
Single:20
Double:8
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:446.779
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:4.64
LogP (Chemaxon):4.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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