Chemical ID: 3918458

Cc1ccc2nc(c(n2c1)NCc3ccccc3)c4ccccc4O
Chemical ID:
3918458
Name [?]:
2-(7-benzylamino-4-methyl-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-8-yl)phenol
SMILES [?]:
Cc1ccc2nc(c(n2c1)NCc3ccccc3)c4ccccc4O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H19N3O
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.2676
Area:533.965
Solvation:-3.08155
Coulombic:-42.0098
Bond Count [?]
All:28
Single:18
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:329.395
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:4.53
LogP (Chemaxon):4.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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