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Chemical ID: 4152449
Chemical ID:
4152449
Name [?]:
3-(2-chlorophenyl)-N-[4-(p-tolyl)thiazol-2-yl]-prop-2-enamide
SMILES [?]:
Cc1ccc(cc1)c2csc(n2)NC(=O)C=Cc3ccccc3Cl
InChi [?]:
InChI=1/C19H15ClN2OS/c1-13-6-8-15(9-7-13)17-12-24-19(21-17)22-18(23)11-10-14-4-2-3-5-16(14)20/h2-12H,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,22,3,7,4,6,17,16,9,2,18,5,23,8,14,11,24,12,13,15,10/E:(6,7)(8,9)/rA:24nCCCCCCCCCSCNNCOCCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClN2OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1783 |
Area: | 551.097 |
Solvation: | -2.59917 |
Coulombic: | -29.7984 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 354.854 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.16 |
LogP (Chemaxon): | 6.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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