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Chemical ID: 6158819
Chemical ID:
6158819
Name [?]:
N-(5-ethyl-4-phenyl-thiazol-2-yl)-3,4-dimethyl-benzamide
SMILES [?]:
CCc1c(nc(s1)NC(=O)c2ccc(c(c2)C)C)c3ccccc3
InChi [?]:
InChI=1/C20H20N2OS/c1-4-17-18(15-8-6-5-7-9-15)21-20(24-17)22-19(23)16-11-10-13(2)14(3)12-16/h5-12H,4H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,18,17,2,22,21,23,20,24,13,12,16,14,15,19,11,3,4,9,6,5,8,10,7/E:(6,7)(8,9)/rA:24nCCCCNCSNCOCCCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s15;s14;s4;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3443 |
Area: | 554.125 |
Solvation: | -2.50881 |
Coulombic: | -29.6765 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 336.452 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.81 |
LogP (Chemaxon): | 5.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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