Chemical ID: 4458733

COC(=O)COc1ccc(cc1C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br
Chemical ID:
4458733
Name [?]:
methyl 2-[2-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)-4-bromo-phenoxy]acetate
SMILES [?]:
COC(=O)COc1ccc(cc1C2C(=C(OC3=C2C(=O)CCC3)N)C#N)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17BrN2O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:8.89145
Area:574.003
Solvation:-5.45862
Coulombic:-59.3365
Bond Count [?]
All:29
Single:21
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:433.253
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.15
LogP (Chemaxon):1.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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