Chemical ID: 4529397

COc1ccc(cc1OC)c2cc(n3c(n2)c(cn3)C(=O)OC)C(F)(F)F
Chemical ID:
4529397
Name [?]:
methyl 4-(3,4-dimethoxyphenyl)-2-(trifluoromethyl)-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene-7-carboxylate
SMILES [?]:
COc1ccc(cc1OC)c2cc(n3c(n2)c(cn3)C(=O)OC)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H14F3N3O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:6.73954
Area:544.561
Solvation:-6.87449
Coulombic:-61.4471
Bond Count [?]
All:29
Single:21
Double:8
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:381.306
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.52
LogP (Chemaxon):2.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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