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Chemical ID: 5940046
Chemical ID:
5940046
Name [?]:
N-[4-[2-(o-tolylamino)thiazol-4-yl]phenyl]furan-2-carboxamide
SMILES [?]:
Cc1ccccc1Nc2nc(cs2)c3ccc(cc3)NC(=O)c4ccco4
InChi [?]:
InChI=1/C21H17N3O2S/c1-14-5-2-3-6-17(14)23-21-24-18(13-27-21)15-8-10-16(11-9-15)22-20(25)19-7-4-12-26-19/h2-13H,1H3,(H,22,25)(H,23,24)
InChi Info:
AuxInfo=1/1/N:1,4,5,25,3,6,24,15,19,16,18,26,12,2,14,17,7,11,23,21,9,20,8,10,22,27,13/E:(8,9)(10,11)/rA:27nCCCCCCCNCNCCSCCCCCCNCOCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;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: | 11.92 |
Area: | 596.806 |
Solvation: | -3.00018 |
Coulombic: | -49.0592 |
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: | 3.97 |
LogP (Chemaxon): | 5.11 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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