Chemical ID: 7047034

c1ccc(cc1)c2c(nc3cc(ccc3n2)C(=O)Nc4cc(cc(c4)Cl)Cl)c5ccccc5
Chemical ID:
7047034
Name [?]:
N-(3,5-dichlorophenyl)-2,3-diphenyl-quinoxaline-6-carboxamide
SMILES [?]:
c1ccc(cc1)c2c(nc3cc(ccc3n2)C(=O)Nc4cc(cc(c4)Cl)Cl)c5ccccc5
InChi [?]:
InChI=1/C27H17Cl2N3O/c28-20-14-21(29)16-22(15-20)30-27(33)19-11-12-23-24(13-19)32-26(18-9-5-2-6-10-18)25(31-23)17-7-3-1-4-8-17/h1-16H,(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,31,2,6,30,32,3,5,29,33,13,14,11,23,21,25,4,28,12,22,24,20,15,10,7,8,17,27,26,19,16,9,18/E:(3,4)(5,6)(7,8)(9,10)(15,16)(20,21)(28,29)/rA:33nCCCCCCCCNCCCCCCNCONCCCCCCClClCCCCCC/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;s24;s22;s8;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H17Cl2N3O
All Atoms:50
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:14.5246
Area:689.159
Solvation:-2.70438
Coulombic:-37.2892
Bond Count [?]
All:37
Single:22
Double:15
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:470.349
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:7.72
LogP (Chemaxon):7.48

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Descriptor Annotations

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