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Chemical ID: 5423909
Chemical ID:
5423909
Name [?]:
N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-4-ethoxy-benzamide
SMILES [?]:
CCOc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H17ClN2O2S/c1-2-24-16-9-5-14(6-10-16)18(23)22-19-21-12-17(25-19)11-13-3-7-15(20)8-4-13/h3-10,12H,2,11H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,20,24,6,8,21,23,5,9,18,15,19,7,22,4,16,10,13,25,14,12,11,3,17/E:(3,4)(5,6)(7,8)(9,10)/rA:25nCCOCCCCCCCONCNCCSCCCCCCCCl/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;d13;s14;d15;s13s16;s16;s18;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0454 |
Area: | 606.071 |
Solvation: | -4.10636 |
Coulombic: | -35.5203 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 372.869 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.91 |
LogP (Chemaxon): | 4.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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