Chemical ID: 4129402

CCCCOc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccccc3Cl
Chemical ID:
4129402
Name [?]:
[4-[[2-(4-butoxyphenoxy)acetyl]aminoiminomethyl]-2-methoxy-phenyl] 2-chlorobenzoate
SMILES [?]:
CCCCOc1ccc(cc1)OCC(=O)NN=Cc2ccc(c(c2)OC)OC(=O)c3ccccc3Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H27ClN2O6
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:11.1923
Area:797.872
Solvation:-8.75449
Coulombic:-61.1586
Bond Count [?]
All:38
Single:26
Double:12
Rotors:14
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:510.966
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:6.71
LogP (Chemaxon):5.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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