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Chemical ID: 6267007
Chemical ID:
6267007
Name [?]:
4-chloro-N-[4-(4-methoxyphenyl)-5-methyl-thiazol-2-yl]-benzamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)c2ccc(cc2)Cl)c3ccc(cc3)OC
InChi [?]:
InChI=1/C18H15ClN2O2S/c1-11-16(12-5-9-15(23-2)10-6-12)20-18(24-11)21-17(22)13-3-7-14(19)8-4-13/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,11,15,18,22,12,14,19,21,2,17,10,13,20,3,8,5,16,4,7,9,23,6/E:(3,4)(5,6)(7,8)(9,10)/rA:24nCCCNCSNCOCCCCCCClCCCCCCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;s3;s17;d18;s19;d20;d17s21;s20;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClN2O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6298 |
Area: | 567.889 |
Solvation: | -3.56739 |
Coulombic: | -36.3282 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 358.843 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.22 |
LogP (Chemaxon): | 4.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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