Chemical ID: 5928745

CC(C)(C)CC(C)(C)Nc1c(nc2n1cccc2)c3ccc(cc3)C(F)(F)F
Chemical ID:
5928745
Name [?]:
N-(1,1,3,3-tetramethylbutyl)-8-[4-(trifluoromethyl)phenyl]-6,9-diazabicyclo[4.3.0]nona-2,4,7,9-tetraen-7-amine
SMILES [?]:
CC(C)(C)CC(C)(C)Nc1c(nc2n1cccc2)c3ccc(cc3)C(F)(F)F
InChi [?]:
InChI=1/C22H26F3N3/c1-20(2,3)14-21(4,5)27-19-18(26-17-8-6-7-13-28(17)19)15-9-11-16(12-10-15)22(23,24)25/h6-13,27H,14H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,17,16,18,20,24,21,23,15,5,19,22,13,11,10,2,6,25,26,27,28,12,9,14/E:(1,2,3)(4,5)(9,10)(11,12)(23,24,25)/rA:28nCCCCCCCCNCCNCNCCCCCCCCCCCFFF/rB:s1;s2;s2;s2;s5;s6;s6;s6;s9;d10;s11;d12;s10s13;s14;d15;s16;s13d17;s11;s19;d20;s21;d22;d19s23;s22;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H26F3N3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.179
Area:533.692
Solvation:-2.16335
Coulombic:-45.0765
Bond Count [?]
All:30
Single:23
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:389.457
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:7.35
LogP (Chemaxon):6.29

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Descriptor Annotations

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