Chemical ID: 6044853

CC(C)C(C)N1CC2=C(C1=O)C(NC(=O)N2C)c3cccc(c3)OC
Chemical ID:
6044853
Name [?]:
8-(1,2-dimethylpropyl)-5-(3-methoxyphenyl)-2-methyl-2,4,8-triazabicyclo[4.3.0]non-10-ene-3,7-dione
SMILES [?]:
CC(C)C(C)N1CC2=C(C1=O)C(NC(=O)N2C)c3cccc(c3)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H25N3O3
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:9.4392
Area:535.909
Solvation:-3.95853
Coulombic:-54.6424
Bond Count [?]
All:27
Single:21
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:343.42
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.58
LogP (Chemaxon):0.92

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Experimental Annotations

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Descriptor Annotations

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