Chemical ID: 4866094

CN(C)c1ccc(cc1)C2C=C(Nc3n2nnn3)c4cccc(c4)OC
Chemical ID:
4866094
Name [?]:
4-[3-(3-methoxyphenyl)-2,6,7,8,9-pentazabicyclo[4.3.0]nona-3,7,9-trien-5-yl]-N,N-dimethyl-aniline
SMILES [?]:
CN(C)c1ccc(cc1)C2C=C(Nc3n2nnn3)c4cccc(c4)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H20N6O
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.4025
Area:561.795
Solvation:-3.64236
Coulombic:-32.9044
Bond Count [?]
All:29
Single:20
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:348.402
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.41
LogP (Chemaxon):2.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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