Chemical ID: 4441847

c1cc(ccc1COC(=O)c2ccc(cc2)N3C(=O)C4CC=CCC4C3=O)Br
Chemical ID:
4441847
Name [?]:
(4-bromophenyl)methyl 4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate
SMILES [?]:
c1cc(ccc1COC(=O)c2ccc(cc2)N3C(=O)C4CC=CCC4C3=O)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H18BrNO4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:11.8614
Area:604.612
Solvation:-3.25394
Coulombic:-46.647
Bond Count [?]
All:31
Single:21
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:440.287
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.05
LogP (Chemaxon):4.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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