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Chemical ID: 4367535
Chemical ID:
4367535
Name [?]:
N-(4,5-diphenylthiazol-2-yl)-2-methyl-benzamide
SMILES [?]:
Cc1ccccc1C(=O)Nc2nc(c(s2)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C23H18N2OS/c1-16-10-8-9-15-19(16)22(26)25-23-24-20(17-11-4-2-5-12-17)21(27-23)18-13-6-3-7-14-18/h2-15H,1H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,25,19,24,26,18,20,4,5,3,23,27,17,21,6,2,22,16,7,13,14,8,11,12,10,9,15/E:(4,5)(6,7)(11,12)(13,14)/rA:27nCCCCCCCCONCNCCSCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s13;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H18N2OS |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9063 |
Area: | 577.717 |
Solvation: | -2.53664 |
Coulombic: | -31.9056 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 370.468 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.79 |
LogP (Chemaxon): | 6.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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