Chemical ID: 6755052

c1ccc(cc1)C(c2ccccc2)[NH+]3CCN(CC3)C(=O)Nc4cccc(c4)C(F)(F)F
Chemical ID:
6755052
Name [?]:
4-benzhydryl-N,N-bis(4-benzhydryl-2,3,5,6-tetrahydropyrazin-6-yl)-2,3,5,6-tetrahydropyrazine-1-carboxamide
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)[NH+]3CCN(CC3)C(=O)Nc4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C25H24F3N3O/c26-25(27,28)21-12-7-13-22(18-21)29-24(32)31-16-14-30(15-17-31)23(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,23H,14-17H2,(H,29,32)/p+1
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,25,3,5,9,13,26,24,15,19,16,18,28,4,8,27,23,7,20,29,30,31,32,22,14,17,21/E:(1,2)(3,4,5,6)(8,9,10,11)(14,15)(16,17)(19,20)(26,27,28)/rA:32nCCCCCCCCCCCCCN+CCNCCCONCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;s15;s16;s17;s14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s27;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H25F3N3O+
All Atoms:57
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:-15.6176
Area:639.857
Solvation:-31.6141
Coulombic:-20.8064
Bond Count [?]
All:35
Single:25
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:440.481
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.91
LogP (Chemaxon):5.9

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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