Chemical ID: 6840808

C=C1C(C(n2c(nc(n2)c3ccc(cc3)Cl)N1)c4ccc(cc4)F)C(=O)N
Chemical ID:
6840808
Name [?]:
8-(4-chlorophenyl)-2-(4-fluorophenyl)-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)c4ccc(cc4)F)C(=O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H15ClFN5O
All Atoms:42
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:10.6279
Area:562.001
Solvation:-3.42217
Coulombic:-55.8071
Bond Count [?]
All:30
Single:20
Double:10
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:383.807
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:3.86
LogP (Chemaxon):3.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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