Chemical ID: 4702348

COC(=O)CC1COc2ccccc2N1C(=O)c3ccc(cc3)Br
Chemical ID:
4702348
Name [?]:
methyl 2-[7-(4-bromobenzoyl)-10-oxa-7-azabicyclo[4.4.0]deca-2,4,11-trien-8-yl]acetate
SMILES [?]:
COC(=O)CC1COc2ccccc2N1C(=O)c3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H16BrNO4
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:8.32074
Area:502.749
Solvation:-4.248
Coulombic:-43.4299
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:390.228
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.54
LogP (Chemaxon):3.06

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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