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Chemical ID: 5541220
Chemical ID:
5541220
Name [?]:
2-ethoxy-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-benzamide
SMILES [?]:
CCOc1ccccc1C(=O)Nc2nc(c(s2)C)c3ccc(cc3)OC
InChi [?]:
InChI=1/C20H20N2O3S/c1-4-25-17-8-6-5-7-16(17)19(23)22-20-21-18(13(2)26-20)14-9-11-15(24-3)12-10-14/h5-12H,4H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,18,26,2,7,6,8,5,20,24,21,23,16,19,22,9,4,15,10,13,14,12,11,25,3,17/E:(9,10)(11,12)/rA:26nCCOCCCCCCCONCNCCSCCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s15;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.24915 |
Area: | 586.737 |
Solvation: | -5.41927 |
Coulombic: | -41.9327 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.93 |
LogP (Chemaxon): | 4.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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