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Chemical ID: 6266920
Chemical ID:
6266920
Name [?]:
4-methoxy-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-benzamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)c2ccc(cc2)OC)c3ccc(cc3)OC
InChi [?]:
InChI=1/C19H18N2O3S/c1-12-17(13-4-8-15(23-2)9-5-13)20-19(25-12)21-18(22)14-6-10-16(24-3)11-7-14/h4-11H,1-3H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,25,17,19,23,11,15,20,22,12,14,2,18,10,21,13,3,8,5,4,7,9,24,16,6/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCCNCSNCOCCCCCCOCCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s16;s3;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.3755 |
Area: | 570.577 |
Solvation: | -4.88892 |
Coulombic: | -42.4565 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 354.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.51 |
LogP (Chemaxon): | 3.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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