Chemical ID: 5116586

COc1cc(cc(c1OC)OC)C2CC(n3c(c(cn3)C(=O)N)N2)C(F)(F)F
Chemical ID:
5116586
Name [?]:
2-(trifluoromethyl)-4-(3,4,5-trimethoxyphenyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-diene-7-carboxamide
SMILES [?]:
COc1cc(cc(c1OC)OC)C2CC(n3c(c(cn3)C(=O)N)N2)C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H19F3N4O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:2
ZAP Information [?]
Total:5.32551
Area:562.429
Solvation:-8.73522
Coulombic:-79.4789
Bond Count [?]
All:30
Single:24
Double:6
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:400.353
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:2.31
LogP (Chemaxon):1.15

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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