Chemical ID: 4086768

CCOc1cc(ccc1OC(=O)c2ccccc2Cl)C(=S)N3CCCCC3
Chemical ID:
4086768
Name [?]:
[2-ethoxy-4-(1-piperidylcarbothioyl)phenyl] 2-chlorobenzoate
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccccc2Cl)C(=S)N3CCCCC3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H22ClNO3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.5034
Area:615.157
Solvation:-2.87558
Coulombic:-37.3428
Bond Count [?]
All:29
Single:21
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:403.923
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.56
LogP (Chemaxon):4.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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