Chemical ID: 6851341

CC(C)Oc1ccc(cc1OC)C2C(C(=C)Nc3n2nnn3)C(=O)N
Chemical ID:
6851341
Name [?]:
5-(4-isopropoxy-3-methoxy-phenyl)-3-methylene-2,6,7,8,9-pentazabicyclo[4.3.0]nona-7,9-diene-4-carboxamide
SMILES [?]:
CC(C)Oc1ccc(cc1OC)C2C(C(=C)Nc3n2nnn3)C(=O)N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H20N6O3
All Atoms:45
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:7.55674
Area:527.277
Solvation:-5.62517
Coulombic:-57.0392
Bond Count [?]
All:27
Single:20
Double:7
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:344.369
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.53
LogP (Chemaxon):0.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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