Chemical ID: 7301920

Cc1c(nc(s1)NC(=O)c2ccc(cc2OC)SC)c3ccc(cc3)OC
Chemical ID:
7301920
Name [?]:
2-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-4-methylsulfanyl-benzamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)c2ccc(cc2OC)SC)c3ccc(cc3)OC
InChi [?]:
InChI=1/C20H20N2O3S2/c1-12-18(13-5-7-14(24-2)8-6-13)21-20(27-12)22-19(23)16-10-9-15(26-4)11-17(16)25-3/h5-11H,1-4H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,27,17,19,21,25,22,24,12,11,14,2,20,23,13,10,15,3,8,5,4,7,9,26,16,18,6/E:(5,6)(7,8)/rA:27nCCCNCSNCOCCCCCCOCSCCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s16;s13;s18;s3;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20N2O3S2
All Atoms:47
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.71598
Area:620.426
Solvation:-5.79468
Coulombic:-41.7363
Bond Count [?]
All:29
Single:20
Double:9
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:400.516
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.25
LogP (Chemaxon):4.59

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