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Chemical ID: 4367620
Chemical ID:
4367620
Name [?]:
N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]benzamide
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(n2)NC(=O)c3ccccc3)C
InChi [?]:
InChI=1/C19H18N2O2S/c1-3-23-16-11-9-14(10-12-16)17-13(2)24-19(20-17)21-18(22)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,2,21,20,22,19,23,6,8,5,9,11,7,18,4,10,16,13,14,15,17,3,12/E:(5,6)(7,8)(9,10)(11,12)/rA:24nCCOCCCCCCCCSCNNCOCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H18N2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5372 |
Area: | 555.329 |
Solvation: | -3.34604 |
Coulombic: | -36.7888 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 338.424 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.02 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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