Chemical ID: 6445261

Cc1cc(ccc1N=C2NC(=O)C(=Cc3ccc(cc3)Br)S2)Cl
Chemical ID:
6445261
Name [?]:
5-[(4-bromophenyl)methylene]-2-(4-chloro-2-methyl-phenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1cc(ccc1N=C2NC(=O)C(=Cc3ccc(cc3)Br)S2)Cl
InChi [?]:
InChI=1/C17H12BrClN2OS/c1-10-8-13(19)6-7-14(10)20-17-21-16(22)15(23-17)9-11-2-4-12(18)5-3-11/h2-9H,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,16,20,17,19,5,6,3,14,2,15,18,4,7,13,11,9,21,23,8,10,12,22/E:(2,3)(4,5)/rA:23nCCCCCCCNCNCOCCCCCCCCBrSCl/rB:s1;s2;d3;s4;d5;d2s6;s7;w8;s9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s18;s9s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12BrClN2OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.9226
Area:549.573
Solvation:-1.81676
Coulombic:-30.3716
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:407.713
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.74
LogP (Chemaxon):6.13

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