Chemical ID: 6179431

Cc1cccc(c1)N=c2n(c(cs2)c3ccccc3)CC=C
Chemical ID:
6179431
Name [?]:
3-allyl-N-(m-tolyl)-4-phenyl-thiazol-2-imine
SMILES [?]:
Cc1cccc(c1)N=c2n(c(cs2)c3ccccc3)CC=C
InChi [?]:
InChI=1/C19H18N2S/c1-3-12-21-18(16-9-5-4-6-10-16)14-22-19(21)20-17-11-7-8-15(2)13-17/h3-11,13-14H,1,12H2,2H3
InChi Info:
AuxInfo=1/0/N:22,1,21,17,16,18,4,3,15,19,5,20,7,12,2,14,6,11,9,8,10,13/E:(5,6)(9,10)/rA:22nCCCCCCCNCNCCSCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;w8;s9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s10;s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.3873
Area:476.641
Solvation:-1.52874
Coulombic:-17.8939
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:306.426
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.8
LogP (Chemaxon):6.33

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Descriptor Annotations

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