Chemical ID: 6240283

c1ccc(cc1)c2c(n3ccccc3n2)NC(=O)c4cccc(c4)C(F)(F)F
Chemical ID:
6240283
Name [?]:
N-(8-phenyl-1,7-diazabicyclo[4.3.0]nona-2,4,6,8-tetraen-9-yl)-3-(trifluoromethyl)benzamide
SMILES [?]:
c1ccc(cc1)c2c(n3ccccc3n2)NC(=O)c4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C21H14F3N3O/c22-21(23,24)16-10-6-9-15(13-16)20(28)26-19-18(14-7-2-1-3-8-14)25-17-11-4-5-12-27(17)19/h1-13H,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,21,3,5,20,22,13,10,24,4,19,23,14,7,8,17,25,26,27,28,15,16,9,18/E:(2,3)(7,8)(22,23,24)/rA:28nCCCCCCCCNCCCCCNNCOCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s11;d12;s9s13;s7d14;s8;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H14F3N3O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.1422
Area:551.225
Solvation:-3.6384
Coulombic:-53.8965
Bond Count [?]
All:31
Single:20
Double:11
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:381.351
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.33
LogP (Chemaxon):5.31

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