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Chemical ID: 6882409
Chemical ID:
6882409
Name [?]:
3-(4-isopropylphenyl)-N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
Cc1ccc(cc1)c2c(sc(n2)NC(=O)C=Cc3ccc(cc3)C(C)C)C
InChi [?]:
InChI=1/C23H24N2OS/c1-15(2)19-12-7-18(8-13-19)9-14-21(26)24-23-25-22(17(4)27-23)20-10-5-16(3)6-11-20/h5-15H,1-4H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:25,26,1,27,3,7,19,23,17,4,6,20,22,16,24,2,9,18,21,5,14,8,11,13,12,15,10/E:(1,2)(5,6)(7,8)(10,11)(12,13)/rA:27nCCCCCCCCCSCNNCOCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s21;s24;s24;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24N2OS |
All Atoms: | 51 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4555 |
Area: | 607.443 |
Solvation: | -2.73061 |
Coulombic: | -29.7997 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 376.516 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.79 |
LogP (Chemaxon): | 6.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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