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Chemical ID: 6215793
Chemical ID:
6215793
Name [?]:
4-benzoyl-N-(5-methyl-4-phenyl-thiazol-2-yl)-benzamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)c2ccc(cc2)C(=O)c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C24H18N2O2S/c1-16-21(17-8-4-2-5-9-17)25-24(29-16)26-23(28)20-14-12-19(13-15-20)22(27)18-10-6-3-7-11-18/h2-15H,1H3,(H,25,26,28)
InChi Info:
AuxInfo=1/1/N:1,27,21,26,28,20,22,25,29,19,23,12,14,11,15,2,24,18,13,10,3,16,8,5,4,7,17,9,6/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:29nCCCNCSNCOCCCCCCCOCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s13;d16;s16;s18;d19;s20;d21;d18s22;s3;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18N2O2S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.5265 |
Area: | 628.203 |
Solvation: | -3.1786 |
Coulombic: | -40.0976 |
Bond Count [?]
All: | 32 |
Single: | 19 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 398.478 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.23 |
LogP (Chemaxon): | 5.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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