Chemical ID: 6275389

Cc1ccc2c(c1)sc(=NC(=O)C=Cc3ccccc3)n2CC#C
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

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