Chemical ID: 4267312

c1ccc2c(c1)cccc2CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc3cccc(c3)[N+](=O)[O-]
Chemical ID:
4267312
Name [?]:
2-(1-naphthyl)-N-[2,2,2-trichloro-1-[(3-nitrophenyl)thiocarbamoylamino]ethyl]-acetamide
SMILES [?]:
c1ccc2c(c1)cccc2CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc3cccc(c3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H17Cl3N4O3S
All Atoms:32
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:9.26118
Area:701.357
Solvation:-8.27276
Coulombic:-61.4865
Bond Count [?]
All:34
Single:23
Double:11
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:511.809
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:5.76
LogP (Chemaxon):5.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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