Chemical ID: 5423909

CCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3)Cl
Chemical ID:
5423909
Name [?]:
N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-4-ethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17ClN2O2S/c1-2-24-16-9-5-14(6-10-16)18(23)22-19-21-12-17(25-19)11-13-3-7-15(20)8-4-13/h3-10,12H,2,11H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,20,24,6,8,21,23,5,9,18,15,19,7,22,4,16,10,13,25,14,12,11,3,17/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCOCCCCCCCONCNCCSCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17ClN2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.0454
Area:606.071
Solvation:-4.10636
Coulombic:-35.5203
Bond Count [?]
All:27
Single:18
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:372.869
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.91
LogP (Chemaxon):4.65

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