Chemical ID: 6266806

CCOc1ccc(cc1)c2c(sc(n2)NC(=O)c3cccc(c3)C)C
Chemical ID:
6266806
Name [?]:
N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-3-methyl-benzamide
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(n2)NC(=O)c3cccc(c3)C)C
InChi [?]:
InChI=1/C20H20N2O2S/c1-4-24-17-10-8-15(9-11-17)18-14(3)25-20(21-18)22-19(23)16-7-5-6-13(2)12-16/h5-12H,4H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,25,2,20,21,19,6,8,5,9,23,22,11,7,18,4,10,16,13,14,15,17,3,12/E:(8,9)(10,11)/rA:25nCCOCCCCCCCCSCNNCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.1127
Area:578.254
Solvation:-3.34361
Coulombic:-36.5564
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:352.451
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.45
LogP (Chemaxon):5.0

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