Chemical ID: 3860808

Cc1cccc(c1)C(=O)N(C)c2nc(cs2)c3cc(ccc3OC)OC
Chemical ID:
3860808
Name [?]:
N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-N,3-dimethyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)N(C)c2nc(cs2)c3cc(ccc3OC)OC
InChi [?]:
InChI=1/C20H20N2O3S/c1-13-6-5-7-14(10-13)19(23)22(2)20-21-17(12-26-20)16-11-15(24-3)8-9-18(16)25-4/h5-12H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,11,26,24,4,3,5,20,21,7,18,15,2,6,19,17,14,22,8,12,13,10,9,25,23,16/rA:26nCCCCCCCCONCCNCCSCCCCCCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s10;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s22;s23;s19;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.93176
Area:568.728
Solvation:-5.28645
Coulombic:-37.3399
Bond Count [?]
All:28
Single:19
Double:9
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:368.45
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.24
LogP (Chemaxon):4.18

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