Chemical ID: 6840812

C=C1C(C(n2c(nc(n2)c3ccc(cc3)Cl)N1)c4cccc(c4)Br)C(=O)N
Chemical ID:
6840812
Name [?]:
2-(3-bromophenyl)-8-(4-chlorophenyl)-4-methylene-1,5,7,9-tetrazabicyclo[4.3.0]nona-6,8-diene-3-carboxamide
SMILES [?]:
C=C1C(C(n2c(nc(n2)c3ccc(cc3)Cl)N1)c4cccc(c4)Br)C(=O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H15BrClN5O
All Atoms:42
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:12.057
Area:585.906
Solvation:-2.59065
Coulombic:-52.5558
Bond Count [?]
All:30
Single:20
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:444.712
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:4.5
LogP (Chemaxon):3.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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