Chemical ID: 5940046

Cc1ccccc1Nc2nc(cs2)c3ccc(cc3)NC(=O)c4ccco4
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

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