Chemical ID: 7141080

Cc1cccc(c1C)N=C2NC(=O)C(=Cc3ccc(cc3)Br)S2
Chemical ID:
7141080
Name [?]:
5-[(4-bromophenyl)methylene]-2-(2,3-dimethylphenyl)imino-thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1C)N=C2NC(=O)C(=Cc3ccc(cc3)Br)S2
InChi [?]:
InChI=1/C18H15BrN2OS/c1-11-4-3-5-15(12(11)2)20-18-21-17(22)16(23-18)10-13-6-8-14(19)9-7-13/h3-10H,1-2H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,8,4,3,5,17,21,18,20,15,2,7,16,19,6,14,12,10,22,9,11,13,23/E:(6,7)(8,9)/rA:23nCCCCCCCCNCNCOCCCCCCCCBrS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s19;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15BrN2OS
All Atoms:38
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.5121
Area:531.973
Solvation:-1.78719
Coulombic:-30.4053
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:387.295
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.55
LogP (Chemaxon):6.08

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