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Chemical ID: 6379880
Chemical ID:
6379880
Name [?]:
N-[4-(4-chlorophenyl)thiazol-2-yl]-3-(p-tolyl)prop-2-enamide
SMILES [?]:
Cc1ccc(cc1)C=CC(=O)Nc2nc(cs2)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H15ClN2OS/c1-13-2-4-14(5-3-13)6-11-18(23)22-19-21-17(12-24-19)15-7-9-16(20)10-8-15/h2-12H,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,8,19,23,20,22,9,16,2,5,18,21,15,10,13,24,14,12,11,17/E:(2,3)(4,5)(7,8)(9,10)/rA:24nCCCCCCCCCCONCNCCSCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;w8;s9;d10;s10;s12;d13;s14;d15;s13s16;s15;s18;d19;s20;d21;d18s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClN2OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0877 |
Area: | 557.242 |
Solvation: | -2.84339 |
Coulombic: | -29.2436 |
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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