Chemical ID: 3918506

COc1ccc(cc1)CNc2c(nc3n2cc(cc3)Cl)c4ccc(c(c4)OC)OC
Chemical ID:
3918506
Name [?]:
4-chloro-8-(3,4-dimethoxyphenyl)-N-[(4-methoxyphenyl)methyl]-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
COc1ccc(cc1)CNc2c(nc3n2cc(cc3)Cl)c4ccc(c(c4)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H22ClN3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:9.41523
Area:650.291
Solvation:-6.84206
Coulombic:-45.8668
Bond Count [?]
All:33
Single:23
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:423.892
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.81
LogP (Chemaxon):4.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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