Chemical ID: 5928032

CC(C)(C)Nc1c(nc2n1cc(cc2)Br)c3ccc(cc3)Cl
Chemical ID:
5928032
Name [?]:
4-bromo-8-(4-chlorophenyl)-N-tert-butyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
CC(C)(C)Nc1c(nc2n1cc(cc2)Br)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H17BrClN3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.946
Area:496.791
Solvation:-1.47379
Coulombic:-25.8821
Bond Count [?]
All:24
Single:17
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:378.694
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:5.72
LogP (Chemaxon):5.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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