Chemical ID: 5927651

CC(C)(C)c1ccc(cc1)c2c(n3cc(ccc3n2)Cl)NCc4ccccc4
Chemical ID:
5927651
Name [?]:
N-benzyl-3-chloro-8-(4-tert-butylphenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
CC(C)(C)c1ccc(cc1)c2c(n3cc(ccc3n2)Cl)NCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C24H24ClN3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:13.6657
Area:622.209
Solvation:-1.88957
Coulombic:-28.2649
Bond Count [?]
All:31
Single:21
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:389.92
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:7.15
LogP (Chemaxon):6.86

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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