Chemical ID: 6158961

CCc1c(nc(s1)NC(=O)c2ccc(cc2OC)SC)c3ccccc3
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

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Descriptor Annotations

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