Chemical ID: 6380703

COc1ccc(cc1)CC(=O)Nc2nc(cs2)c3ccc(cc3Cl)Cl
Chemical ID:
6380703
Name [?]:
N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-2-(4-methoxyphenyl)-acetamide
SMILES [?]:
COc1ccc(cc1)CC(=O)Nc2nc(cs2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C18H14Cl2N2O2S/c1-24-13-5-2-11(3-6-13)8-17(23)22-18-21-16(10-25-18)14-7-4-12(19)9-15(14)20/h2-7,9-10H,8H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,5,7,20,4,8,19,9,22,16,6,21,3,18,23,15,10,13,25,24,14,12,11,2,17/E:(2,3)(5,6)/rA:25nCOCCCCCCCCONCNCCSCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s23;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl2N2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.2436
Area:589.414
Solvation:-4.49171
Coulombic:-34.0445
Bond Count [?]
All:27
Single:18
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:393.287
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.8
LogP (Chemaxon):5.34

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