Chemical ID: 6264916

Cc1c(nc(s1)NC(=O)c2ccc(cc2)OC(C)C)c3ccccc3
Chemical ID:
6264916
Name [?]:
4-isopropoxy-N-(5-methyl-4-phenyl-thiazol-2-yl)-benzamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)c2ccc(cc2)OC(C)C)c3ccccc3
InChi [?]:
InChI=1/C20H20N2O2S/c1-13(2)24-17-11-9-16(10-12-17)19(23)22-20-21-18(14(3)25-20)15-7-5-4-6-8-15/h4-13H,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:18,19,1,23,22,24,21,25,11,15,12,14,17,2,20,10,13,3,8,5,4,7,9,16,6/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:25nCCCNCSNCOCCCCCCOCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s17;s17;s3;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.2525
Area:579.153
Solvation:-3.2263
Coulombic:-37.0197
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:4.48
LogP (Chemaxon):4.94

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