Chemical ID: 6177542

Cn1c2ccccc2sc1=NC(=O)C=Cc3ccccc3
Chemical ID:
6177542
Name [?]:
N-(3-methylbenzothiazol-2-ylidene)-3-phenyl-prop-2-enamide
SMILES [?]:
Cn1c2ccccc2sc1=NC(=O)C=Cc3ccccc3
InChi [?]:
InChI=1/C17H14N2OS/c1-19-14-9-5-6-10-15(14)21-17(19)18-16(20)12-11-13-7-3-2-4-8-13/h2-12H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,5,6,17,21,4,7,15,14,16,3,8,12,10,11,2,13,9/E:(3,4)(7,8)/rA:21nCNCCCCCCSCNCOCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;w10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.5443
Area:470.382
Solvation:-2.21526
Coulombic:-25.8916
Bond Count [?]
All:23
Single:14
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:294.372
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.12
LogP (Chemaxon):5.21

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Descriptor Annotations

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