Chemical ID: 4620731

CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c3ccc(cc3)Cl)c4ccc(cc4)Br
Chemical ID:
4620731
Name [?]:
ethyl 8-(4-bromophenyl)-3-(4-chlorophenyl)-2,4-dioxo-3,7,8-triazabicyclo[3.3.0]oct-6-ene-6-carboxylate
SMILES [?]:
CCOC(=O)C1=NN(C2C1C(=O)N(C2=O)c3ccc(cc3)Cl)c4ccc(cc4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H15BrClN3O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:2
ZAP Information [?]
Total:11.4571
Area:619.162
Solvation:-4.02193
Coulombic:-49.4402
Bond Count [?]
All:32
Single:22
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:476.708
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.67
LogP (Chemaxon):4.81

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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