Chemical ID: 7047110

c1ccc(cc1)c2c(nc3cc(ccc3n2)C(=O)Nc4ccc(cc4)SC(F)F)c5ccccc5
Chemical ID:
7047110
Name [?]:
N-[4-(difluoromethylsulfanyl)phenyl]-2,3-diphenyl-quinoxaline-6-carboxamide
SMILES [?]:
c1ccc(cc1)c2c(nc3cc(ccc3n2)C(=O)Nc4ccc(cc4)SC(F)F)c5ccccc5
InChi [?]:
InChI=1/C28H19F2N3OS/c29-28(30)35-22-14-12-21(13-15-22)31-27(34)20-11-16-23-24(17-20)33-26(19-9-5-2-6-10-19)25(32-23)18-7-3-1-4-8-18/h1-17,28H,(H,31,34)
InChi Info:
AuxInfo=1/1/N:1,33,2,6,32,34,3,5,31,35,13,21,25,22,24,14,11,4,30,12,20,23,15,10,7,8,17,27,28,29,19,16,9,18,26/E:(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)(29,30)/rA:35nCCCCCCCCNCCCCCCNCONCCCCCCSCFFCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s12;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;s27;s27;s8;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H19F2N3OS
All Atoms:54
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:12.7164
Area:687.769
Solvation:-4.47786
Coulombic:-47.0447
Bond Count [?]
All:39
Single:24
Double:15
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:483.533
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.7
LogP (Chemaxon):7.97

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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