Chemical ID: 3918472

CCC(C)(C)Nc1c(nc2n1c(ccc2)C)c3ccc(c(c3)OC)OC
Chemical ID:
3918472
Name [?]:
8-(3,4-dimethoxyphenyl)-N-(1,1-dimethylpropyl)-5-methyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
CCC(C)(C)Nc1c(nc2n1c(ccc2)C)c3ccc(c(c3)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H27N3O2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.48302
Area:534.904
Solvation:-4.88957
Coulombic:-38.4954
Bond Count [?]
All:28
Single:21
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:353.458
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.54
LogP (Chemaxon):3.75

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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