Chemical ID: 4429813

Cc1cc(ccc1OC)c2csc(n2)NC(=O)c3ccccc3
Chemical ID:
4429813
Name [?]:
N-[4-(4-methoxy-3-methyl-phenyl)thiazol-2-yl]benzamide
SMILES [?]:
Cc1cc(ccc1OC)c2csc(n2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C18H16N2O2S/c1-12-10-14(8-9-16(12)22-2)15-11-23-18(19-15)20-17(21)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,9,21,20,22,19,23,5,6,3,11,2,18,4,10,7,16,13,14,15,17,8,12/E:(4,5)(6,7)/rA:23nCCCCCCCOCCCSCNNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s4;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O2S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.71456
Area:531.61
Solvation:-3.5757
Coulombic:-36.1909
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:324.398
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.97
LogP (Chemaxon):4.66

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