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Chemical ID: 6158961
Chemical ID:
6158961
Name [?]:
N-(5-ethyl-4-phenyl-thiazol-2-yl)-2-methoxy-4-methylsulfanyl-benzamide
SMILES [?]:
CCc1c(nc(s1)NC(=O)c2ccc(cc2OC)SC)c3ccccc3
InChi [?]:
InChI=1/C20H20N2O2S2/c1-4-17-18(13-8-6-5-7-9-13)21-20(26-17)22-19(23)15-11-10-14(25-3)12-16(15)24-2/h5-12H,4H2,1-3H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,18,20,2,24,23,25,22,26,13,12,15,21,14,11,16,3,4,9,6,5,8,10,17,19,7/E:(6,7)(8,9)/rA:26nCCCCNCSNCOCCCCCCOCSCCCCCCC/rB:s1;s2;d3;s4;d5;s3s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s14;s19;s4;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O2S2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0686 |
Area: | 601.304 |
Solvation: | -4.96403 |
Coulombic: | -35.2857 |
Bond Count [?]
All: | 28 |
Single: | 19 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 384.517 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.59 |
LogP (Chemaxon): | 5.31 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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