Chemical ID: 4366875

Cc1c(nc(s1)NC(=O)c2ccc(cc2Cl)Cl)c3ccc(cc3)OC
Chemical ID:
4366875
Name [?]:
2,4-dichloro-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-benzamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)c2ccc(cc2Cl)Cl)c3ccc(cc3)OC
InChi [?]:
InChI=1/C18H14Cl2N2O2S/c1-10-16(11-3-6-13(24-2)7-4-11)21-18(25-10)22-17(23)14-8-5-12(19)9-15(14)20/h3-9H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,25,19,23,12,20,22,11,14,2,18,13,21,10,15,3,8,5,17,16,4,7,9,24,6/E:(3,4)(6,7)/rA:25nCCCNCSNCOCCCCCCClClCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s13;s3;s18;d19;s20;d21;d18s22;s21;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14Cl2N2O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.8412
Area:590.466
Solvation:-3.92046
Coulombic:-35.4989
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:393.287
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.84
LogP (Chemaxon):5.23

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Descriptor Annotations

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