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Chemical ID: 6275389
Chemical ID:
6275389
Name [?]:
N-(6-methyl-3-prop-2-ynyl-benzothiazol-2-ylidene)-3-phenyl-prop-2-enamide
SMILES [?]:
Cc1ccc2c(c1)sc(=NC(=O)C=Cc3ccccc3)n2CC#C
InChi [?]:
InChI=1/C20H16N2OS/c1-3-13-22-17-11-9-15(2)14-18(17)24-20(22)21-19(23)12-10-16-7-5-4-6-8-16/h1,4-12,14H,13H2,2H3
InChi Info:
AuxInfo=1/0/N:24,1,23,18,17,19,16,20,3,14,4,13,22,7,2,15,5,6,11,9,10,21,12,8/E:(5,6)(7,8)/rA:24nCCCCCCCSCNCOCCCCCCCCNCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;w9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s5s9;s21;s22;t23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N2OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8597 |
Area: | 538.936 |
Solvation: | -2.61372 |
Coulombic: | -27.7755 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 2 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 332.42 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.82 |
LogP (Chemaxon): | 5.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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