Chemical ID: 4819300

Cc1ccc(cc1)OCC(=O)Nc2ncc(s2)Cc3ccc(c(c3)Cl)Cl
Chemical ID:
4819300
Name [?]:
N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]-2-(4-methylphenoxy)-acetamide
SMILES [?]:
Cc1ccc(cc1)OCC(=O)Nc2ncc(s2)Cc3ccc(c(c3)Cl)Cl
InChi [?]:
InChI=1/C19H16Cl2N2O2S/c1-12-2-5-14(6-3-12)25-11-18(24)23-19-22-10-15(26-19)8-13-4-7-16(20)17(21)9-13/h2-7,9-10H,8,11H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,3,7,20,4,6,21,18,24,15,9,2,19,5,16,22,23,10,13,26,25,14,12,11,8,17/E:(2,3)(5,6)/rA:26nCCCCCCCOCCONCNCCSCCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;s19;d20;s21;d22;d19s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16Cl2N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.4023
Area:630.164
Solvation:-5.35183
Coulombic:-34.3759
Bond Count [?]
All:28
Single:19
Double:9
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:407.314
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.31
LogP (Chemaxon):5.32

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