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Chemical ID: 4366875
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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