Chemical ID: 6808160

CC(c1ccncc1)N(CC[NH+](C)C)C(=S)Nc2ccc(cc2OC)Cl
Chemical ID:
6808160
Name [?]:
2-[(4-chloro-2-methoxy-phenyl)thiocarbamoyl-[1-(4-pyridyl)ethyl]amino]ethyl-dimethyl-ammonium
SMILES [?]:
CC(c1ccncc1)N(CC[NH+](C)C)C(=S)Nc2ccc(cc2OC)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H26ClN4OS+
All Atoms:52
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:-19.0814
Area:609.053
Solvation:-34.3078
Coulombic:-2.1978
Bond Count [?]
All:27
Single:20
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:393.955
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.63
LogP (Chemaxon):3.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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