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Chemical ID: 6217244
Chemical ID:
6217244
Name [?]:
3-phenyl-N-[4-(4-phenylphenyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
c1ccc(cc1)C=CC(=O)Nc2nc(cs2)c3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C24H18N2OS/c27-23(16-11-18-7-3-1-4-8-18)26-24-25-22(17-28-24)21-14-12-20(13-15-21)19-9-5-2-6-10-19/h1-17H,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,26,2,6,25,27,3,5,24,28,7,19,21,18,22,8,15,4,23,20,17,14,9,12,13,11,10,16/E:(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)/rA:28nCCCCCCCCCONCNCCSCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;d12;s13;d14;s12s15;s14;s17;d18;s19;d20;d17s21;s20;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18N2OS |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.0357 |
Area: | 608.717 |
Solvation: | -3.18223 |
Coulombic: | -30.8845 |
Bond Count [?]
All: | 31 |
Single: | 18 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 382.479 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.04 |
LogP (Chemaxon): | 6.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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