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Chemical ID: 6215796
Chemical ID:
6215796
Name [?]:
N-(5-methyl-4-phenyl-thiazol-2-yl)-3-phenyl-prop-2-enamide
SMILES [?]:
Cc1c(nc(s1)NC(=O)C=Cc2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C19H16N2OS/c1-14-18(16-10-6-3-7-11-16)21-19(23-14)20-17(22)13-12-15-8-4-2-5-9-15/h2-13H,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,15,21,14,16,20,22,13,17,19,23,11,10,2,12,18,8,3,5,7,4,9,6/E:(4,5)(6,7)(8,9)(10,11)/rA:23nCCCNCSNCOCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;w10;s11;s12;d13;s14;d15;d12s16;s3;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2OS |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2821 |
Area: | 519.545 |
Solvation: | -2.70657 |
Coulombic: | -29.6706 |
Bond Count [?]
All: | 25 |
Single: | 15 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 320.409 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.95 |
LogP (Chemaxon): | 5.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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