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Chemical ID: 7301920
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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