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Chemical ID: 4411320
Chemical ID:
4411320
Name [?]:
3-chloro-4-methyl-N-(4-phenylthiazol-2-yl)-benzamide
SMILES [?]:
Cc1ccc(cc1Cl)C(=O)Nc2nc(cs2)c3ccccc3
InChi [?]:
InChI=1/C17H13ClN2OS/c1-11-7-8-13(9-14(11)18)16(21)20-17-19-15(10-22-17)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,3,4,6,15,2,17,5,7,14,9,12,8,13,11,10,16/E:(3,4)(5,6)/rA:22nCCCCCCCClCONCNCCSCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H13ClN2OS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9249 |
Area: | 525.81 |
Solvation: | -2.2204 |
Coulombic: | -29.9178 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 328.817 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.68 |
LogP (Chemaxon): | 5.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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