Chemical ID: 4524749

c1cc(ccc1C=NN=c2[nH]c(cs2)c3ccc(cc3)Br)Cl
Chemical ID:
4524749
Name [?]:
4-(4-bromophenyl)-N-[(4-chlorophenyl)methyleneamino]-3H-thiazol-2-imine
SMILES [?]:
c1cc(ccc1C=NN=c2[nH]c(cs2)c3ccc(cc3)Br)Cl
InChi [?]:
InChI=1/C16H11BrClN3S/c17-13-5-3-12(4-6-13)15-10-22-16(20-15)21-19-9-11-1-7-14(18)8-2-11/h1-10H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,5,16,20,17,19,2,4,7,13,6,15,18,3,12,10,21,22,8,11,9,14/E:(1,2)(3,4)(5,6)(7,8)/rA:22nCCCCCCCNNCNCCSCCCCCCBrCl/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;w9;s10;s11;d12;s10s13;s12;s15;d16;s17;d18;d15s19;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H11BrClN3S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:12.0726
Area:550.444
Solvation:-1.68845
Coulombic:-19.2029
Bond Count [?]
All:24
Single:15
Double:9
Rotors:3
Chiral:2
Rigid Segments:4
Chemical Properties
Molecular Weight:392.701
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:7.23
LogP (Chemaxon):5.19

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