Chemical ID: 4188291

Cc1c(n2ccccc2n1)C(=O)Nc3cccc(c3)C(F)(F)F
Chemical ID:
4188291
Name [?]:
8-methyl-N-[3-(trifluoromethyl)phenyl]-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraene-9-carboxamide
SMILES [?]:
Cc1c(n2ccccc2n1)C(=O)Nc3cccc(c3)C(F)(F)F
InChi [?]:
InChI=1/C16H12F3N3O/c1-10-14(22-8-3-2-7-13(22)20-10)15(23)21-12-6-4-5-11(9-12)16(17,18)19/h2-9H,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,7,6,16,17,15,8,5,19,2,18,14,9,3,11,20,21,22,23,10,13,4,12/E:(17,18,19)/rA:23nCCCNCCCCCNCONCCCCCCCFFF/rB:s1;d2;s3;s4;d5;s6;d7;s4s8;s2d9;s3;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H12F3N3O
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.25389
Area:481.556
Solvation:-2.78502
Coulombic:-52.3912
Bond Count [?]
All:25
Single:17
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:319.281
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.14
LogP (Chemaxon):3.21

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