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Chemical ID: 5940188
Chemical ID:
5940188
Name [?]:
N-[3-[2-(m-tolylamino)thiazol-4-yl]phenyl]benzamide
SMILES [?]:
Cc1cccc(c1)Nc2nc(cs2)c3cccc(c3)NC(=O)c4ccccc4
InChi [?]:
InChI=1/C23H19N3OS/c1-16-7-5-11-19(13-16)25-23-26-21(15-28-23)18-10-6-12-20(14-18)24-22(27)17-8-3-2-4-9-17/h2-15H,1H3,(H,24,27)(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,4,16,3,24,28,15,5,17,7,19,12,2,23,14,6,18,11,21,9,20,8,10,22,13/E:(3,4)(8,9)/rA:28nCCCCCCCNCNCCSCCCCCCNCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19N3OS |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4248 |
Area: | 613.754 |
Solvation: | -2.91903 |
Coulombic: | -41.7965 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 385.483 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.48 |
LogP (Chemaxon): | 6.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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