Chemical ID: 4160931

CCCOc1ccc(cc1OC)C2C(=C(Nc3n2nnn3)C)C(=O)Nc4ccccc4OC
Chemical ID:
4160931
Name [?]:
N-(2-methoxyphenyl)-5-(3-methoxy-4-propoxy-phenyl)-3-methyl-2,6,7,8,9-pentazabicyclo[4.3.0]nona-3,7,9-triene-4-carboxamide
SMILES [?]:
CCCOc1ccc(cc1OC)C2C(=C(Nc3n2nnn3)C)C(=O)Nc4ccccc4OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H26N6O4
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:9.42007
Area:639.467
Solvation:-6.56661
Coulombic:-61.2947
Bond Count [?]
All:36
Single:26
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:450.491
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.39
LogP (Chemaxon):2.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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