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Chemical ID: 4210456
Chemical ID:
4210456
Name [?]:
2,3-diphenyl-N-(4-sulfamoylphenyl)-quinoxaline-6-carboxamide
SMILES [?]:
c1ccc(cc1)c2c(nc3cc(ccc3n2)C(=O)Nc4ccc(cc4)S(=O)(=O)N)c5ccccc5
InChi [?]:
InChI=1/C27H20N4O3S/c28-35(33,34)22-14-12-21(13-15-22)29-27(32)20-11-16-23-24(17-20)31-26(19-9-5-2-6-10-19)25(30-23)18-7-3-1-4-8-18/h1-17H,(H,29,32)(H2,28,33,34)
InChi Info:
AuxInfo=1/1/N:1,33,2,6,32,34,3,5,31,35,13,21,25,22,24,14,11,4,30,12,20,23,15,10,7,8,17,29,19,16,9,18,27,28,26/E:(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)(33,34)/CRV:35.6/rA:35nCCCCCCCCNCCCCCCNCONCCCCCCSOONCCCCCC/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;d26;d26;s26;s8;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H20N4O3S |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3947 |
Area: | 697.766 |
Solvation: | -4.04947 |
Coulombic: | -51.8314 |
Bond Count [?]
All: | 39 |
Single: | 22 |
Double: | 17 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 480.539 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 5 |
XLogP: | 4.93 |
LogP (Chemaxon): | 5.08 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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