Chemical ID: 3918504

COc1ccc(cc1OC)c2c(n3cc(ccc3n2)Cl)NCc4ccccc4
Chemical ID:
3918504
Name [?]:
N-benzyl-3-chloro-8-(3,4-dimethoxyphenyl)-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-amine
SMILES [?]:
COc1ccc(cc1OC)c2c(n3cc(ccc3n2)Cl)NCc4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H20ClN3O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.1149
Area:613.167
Solvation:-5.21426
Coulombic:-39.9849
Bond Count [?]
All:31
Single:21
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:393.866
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.89
LogP (Chemaxon):4.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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