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Chemical ID: 5940166
Chemical ID:
5940166
Name [?]:
N-[4-[2-(m-tolylamino)thiazol-4-yl]phenyl]furan-2-carboxamide
SMILES [?]:
Cc1cccc(c1)Nc2nc(cs2)c3ccc(cc3)NC(=O)c4ccco4
InChi [?]:
InChI=1/C21H17N3O2S/c1-14-4-2-5-17(12-14)23-21-24-18(13-27-21)15-7-9-16(10-8-15)22-20(25)19-6-3-11-26-19/h2-13H,1H3,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,4,25,3,5,24,15,19,16,18,26,7,12,2,14,17,6,11,23,21,9,20,8,10,22,27,13/E:(7,8)(9,10)/rA:27nCCCCCCCNCNCCSCCCCCCNCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s17;s20;d21;s21;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H17N3O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9048 |
Area: | 597.396 |
Solvation: | -3.03011 |
Coulombic: | -48.993 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 375.445 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 4.18 |
LogP (Chemaxon): | 5.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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