Chemical ID: 6399994

COc1ccc(cc1)C=CC(=O)Nc2nc(cs2)c3ccc(cc3Cl)Cl
Chemical ID:
6399994
Name [?]:
N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-3-(4-methoxyphenyl)-prop-2-enamide
SMILES [?]:
COc1ccc(cc1)C=CC(=O)Nc2nc(cs2)c3ccc(cc3Cl)Cl
InChi [?]:
InChI=1/C19H14Cl2N2O2S/c1-25-14-6-2-12(3-7-14)4-9-18(24)23-19-22-17(11-26-19)15-8-5-13(20)10-16(15)21/h2-11H,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,5,7,9,21,4,8,20,10,23,17,6,22,3,19,24,16,11,14,26,25,15,13,12,2,18/E:(2,3)(6,7)/rA:26nCOCCCCCCCCCONCNCCSCCCCCCClCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s15;d16;s14s17;s16;s19;d20;s21;d22;d19s23;s24;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14Cl2N2O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.6499
Area:594.107
Solvation:-4.2028
Coulombic:-35.4854
Bond Count [?]
All:28
Single:18
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:405.298
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.26
LogP (Chemaxon):5.82

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