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Chemical ID: 6266806
Chemical ID:
6266806
Name [?]:
N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-3-methyl-benzamide
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(n2)NC(=O)c3cccc(c3)C)C
InChi [?]:
InChI=1/C20H20N2O2S/c1-4-24-17-10-8-15(9-11-17)18-14(3)25-20(21-18)22-19(23)16-7-5-6-13(2)12-16/h5-12H,4H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,25,2,20,21,19,6,8,5,9,23,22,11,7,18,4,10,16,13,14,15,17,3,12/E:(8,9)(10,11)/rA:25nCCOCCCCCCCCSCNNCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;d19;s20;d21;d18s22;s22;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1127 |
Area: | 578.254 |
Solvation: | -3.34361 |
Coulombic: | -36.5564 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 352.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.45 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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