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Chemical ID: 7516475
Chemical ID:
7516475
Name [?]:
N-[3-[2-(m-tolylamino)thiazol-4-yl]phenyl]acetamide
SMILES [?]:
Cc1cccc(c1)Nc2nc(cs2)c3cccc(c3)NC(=O)C
InChi [?]:
InChI=1/C18H17N3OS/c1-12-5-3-7-15(9-12)20-18-21-17(11-23-18)14-6-4-8-16(10-14)19-13(2)22/h3-11H,1-2H3,(H,19,22)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,23,4,16,3,15,5,17,7,19,12,2,21,14,6,18,11,9,20,8,10,22,13/rA:23nCCCCCCCNCNCCSCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17N3OS |
All Atoms: | 40 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.1809 |
Area: | 530.953 |
Solvation: | -3.09296 |
Coulombic: | -37.7858 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.76 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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