Chemical ID: 6996050

Cc1cccc(c1C)N=c2n(c(cs2)c3ccc(cc3)Br)CC=C
Chemical ID:
6996050
Name [?]:
3-allyl-4-(4-bromophenyl)-N-(2,3-dimethylphenyl)-thiazol-2-imine
SMILES [?]:
Cc1cccc(c1C)N=c2n(c(cs2)c3ccc(cc3)Br)CC=C
InChi [?]:
InChI=1/C20H19BrN2S/c1-4-12-23-19(16-8-10-17(21)11-9-16)13-24-20(23)22-18-7-5-6-14(2)15(18)3/h4-11,13H,1,12H2,2-3H3
InChi Info:
AuxInfo=1/0/N:24,1,8,23,4,3,5,16,20,17,19,22,13,2,7,15,18,6,12,10,21,9,11,14/E:(8,9)(10,11)/rA:24nCCCCCCCCNCNCCSCCCCCCBrCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;w9;s10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;s11;s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19BrN2S
All Atoms:43
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:11.6106
Area:525.653
Solvation:-1.53077
Coulombic:-17.4254
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:399.348
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:6.83
LogP (Chemaxon):7.59

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