Chemical ID: 7190166

CCn1c2c(c(n1)C)c(cc(n2)c3ccc(cc3)OC)C(F)(F)F
Chemical ID:
7190166
Name [?]:
9-ethyl-3-(4-methoxyphenyl)-7-methyl-5-(trifluoromethyl)-2,8,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraene
SMILES [?]:
CCn1c2c(c(n1)C)c(cc(n2)c3ccc(cc3)OC)C(F)(F)F
InChi [?]:
InChI=1/C17H16F3N3O/c1-4-23-16-15(10(2)22-23)13(17(18,19)20)9-14(21-16)11-5-7-12(24-3)8-6-11/h5-9H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,20,2,14,18,15,17,10,6,13,16,9,11,5,4,21,22,23,24,12,7,3,19/E:(5,6)(7,8)(18,19,20)/rA:24nCCNCCCNCCCCNCCCCCCOCCFFF/rB:s1;s2;s3;s4;s5;s3d6;s6;d5;s9;d10;d4s11;s11;s13;d14;s15;d16;d13s17;s16;s19;s9;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H16F3N3O
All Atoms:40
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.68836
Area:498.155
Solvation:-3.76551
Coulombic:-35.7235
Bond Count [?]
All:26
Single:19
Double:7
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.324
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:4.86
LogP (Chemaxon):4.06

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Descriptor Annotations

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