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Chemical ID: 4324521
Chemical ID:
4324521
Name [?]:
N-[5-[(4-chlorophenyl)methyl]thiazol-2-yl]-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ncc(s2)Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C18H15ClN2OS/c1-12-2-6-14(7-3-12)17(22)21-18-20-11-16(23-18)10-13-4-8-15(19)9-5-13/h2-9,11H,10H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,3,7,18,22,4,6,19,21,16,13,2,17,5,20,14,8,11,23,12,10,9,15/E:(2,3)(4,5)(6,7)(8,9)/rA:23nCCCCCCCCONCNCCSCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15ClN2OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0987 |
Area: | 559.121 |
Solvation: | -2.87932 |
Coulombic: | -28.9958 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 342.843 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.0 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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