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Chemical ID: 6851701
Chemical ID:
6851701
Name [?]:
N-[4-(3-chlorophenyl)-5-methyl-thiazol-2-yl]-3-phenyl-prop-2-enamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)C=Cc2ccccc2)c3cccc(c3)Cl
InChi [?]:
InChI=1/C19H15ClN2OS/c1-13-18(15-8-5-9-16(20)12-15)22-19(24-13)21-17(23)11-10-14-6-3-2-4-7-14/h2-12H,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,15,14,16,20,13,17,19,21,11,10,23,2,12,18,22,8,3,5,24,7,4,9,6/E:(3,4)(6,7)/rA:24nCCCNCSNCOCCCCCCCCCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s3;s18;d19;s20;d21;d18s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15ClN2OS |
All Atoms: | 39 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1936 |
Area: | 554.789 |
Solvation: | -2.67614 |
Coulombic: | -29.6881 |
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: | 4.57 |
LogP (Chemaxon): | 5.55 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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