Chemical ID: 6407102

Cc1ccc(cc1)Nc2nc(nc(n2)Sc3nc4ccccc4o3)Nc5ccc(cc5)C
Chemical ID:
6407102
Name [?]:
6-benzooxazol-2-ylsulfanyl-N,N'-bis(p-tolyl)-1,3,5-triazine-2,4-diamine
SMILES [?]:
Cc1ccc(cc1)Nc2nc(nc(n2)Sc3nc4ccccc4o3)Nc5ccc(cc5)C
InChi [?]:
InChI=1/C24H20N6OS/c1-15-7-11-17(12-8-15)25-21-28-22(26-18-13-9-16(2)10-14-18)30-23(29-21)32-24-27-19-5-3-4-6-20(19)31-24/h3-14H,1-2H3,(H2,25,26,28,29,30)
InChi Info:
AuxInfo=1/1/N:1,32,20,21,19,22,3,7,28,30,4,6,27,31,2,29,5,26,18,23,9,11,13,16,8,25,17,10,14,12,24,15/E:(1,2)(7,8,9,10)(11,12,13,14)(15,16)(17,18)(21,22)(25,26)(29,30)/rA:32nCCCCCCCNCNCNCNSCNCCCCCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;d12;d9s13;s13;s15;d16;s17;s18;d19;s20;d21;d18s22;s16s23;s11;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20N6OS
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:14.3728
Area:665.051
Solvation:-2.25347
Coulombic:-60.8188
Bond Count [?]
All:36
Single:23
Double:13
Rotors:6
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:440.521
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:5.13
LogP (Chemaxon):8.16

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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