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Chemical ID: 4882600
Chemical ID:
4882600
Name [?]:
N-[3-(3,5-dimethoxyphenyl)aminoquinoxalin-2-yl]-4-fluoro-benzenesulfonamide
SMILES [?]:
COc1cc(cc(c1)OC)Nc2c(nc3ccccc3n2)NS(=O)(=O)c4ccc(cc4)F
InChi [?]:
InChI=1/C22H19FN4O4S/c1-30-16-11-15(12-17(13-16)31-2)24-21-22(26-20-6-4-3-5-19(20)25-21)27-32(28,29)18-9-7-14(23)8-10-18/h3-13H,1-2H3,(H,24,25)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,10,18,17,19,16,28,30,27,31,4,6,8,29,5,3,7,26,20,15,12,13,32,11,21,14,22,24,25,2,9,23/E:(1,2)(7,8)(9,10)(11,12)(16,17)(28,29)(30,31)/CRV:32.6/rA:32nCOCCCCCCOCNCCNCCCCCCNNSOOCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;s11;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s13;s22;d23;d23;s23;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H19FN4O4S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.48249 |
Area: | 631.791 |
Solvation: | -6.31229 |
Coulombic: | -53.1073 |
Bond Count [?]
All: | 35 |
Single: | 22 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 454.475 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.8 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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