Chemical ID: 4301149

COc1ccc(cc1)Cc2cnc(s2)NC(=O)c3ccccc3
Chemical ID:
4301149
Name [?]:
N-[5-[(4-methoxyphenyl)methyl]thiazol-2-yl]benzamide
SMILES [?]:
COc1ccc(cc1)Cc2cnc(s2)NC(=O)c3ccccc3
InChi [?]:
InChI=1/C18H16N2O2S/c1-22-15-9-7-13(8-10-15)11-16-12-19-18(23-16)20-17(21)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,20,22,19,23,5,7,4,8,9,11,6,18,3,10,16,13,12,15,17,2,14/E:(3,4)(5,6)(7,8)(9,10)/rA:23nCOCCCCCCCCCNCSNCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s10s13;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:9.26798
Area:541.107
Solvation:-4.25969
Coulombic:-35.3042
Bond Count [?]
All:25
Single:16
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:324.398
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.86
LogP (Chemaxon):3.79

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