Chemical ID: 6647002

COc1ccccc1OCC(=O)NN=Cc2cc(ccc2OC(=O)C=Cc3ccccc3)Br
Chemical ID:
6647002
Name [?]:
[4-bromo-2-[[2-(2-methoxyphenoxy)acetyl]aminoiminomethyl]phenyl] 3-phenylprop-2-enoate
SMILES [?]:
COc1ccccc1OCC(=O)NN=Cc2cc(ccc2OC(=O)C=Cc3ccccc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H21BrN2O5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:8.82343
Area:700.97
Solvation:-8.70082
Coulombic:-52.7927
Bond Count [?]
All:35
Single:22
Double:13
Rotors:11
Chiral:2
Rigid Segments:9
Chemical Properties
Molecular Weight:509.349
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.89
LogP (Chemaxon):5.38

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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