Chemical ID: 6453871

Cc1ccc(cc1C)N=C2N(C(=O)C(=C3c4cc(ccc4N(C3=O)C)Br)S2)c5ccc(c(c5)C)C
Chemical ID:
6453871
Name [?]:
5-bromo-3-[3-(3,4-dimethylphenyl)-2-(3,4-dimethylphenyl)imino-4-oxo-thiazolidin-5-ylidene]-1-methyl-indolin-2-one
SMILES [?]:
Cc1ccc(cc1C)N=C2N(C(=O)C(=C3c4cc(ccc4N(C3=O)C)Br)S2)c5ccc(c(c5)C)C
InChi [?]:
InChI=1/C28H24BrN3O2S/c1-15-6-9-20(12-17(15)3)30-28-32(21-10-7-16(2)18(4)13-21)27(34)25(35-28)24-22-14-19(29)8-11-23(22)31(5)26(24)33/h6-14H,1-5H3
InChi Info:
AuxInfo=1/0/N:1,35,8,34,25,3,30,19,4,29,20,6,33,17,2,31,7,32,18,5,28,16,21,15,14,23,12,10,26,9,22,11,24,13,27/rA:35nCCCCCCCCNCNCOCCCCCCCCNCOCBrSCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;w9;s10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s15s22;d23;s22;s18;s10s14;s11;s28;d29;s30;d31;d28s32;s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H24BrN3O2S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:13.5892
Area:650.443
Solvation:-2.67189
Coulombic:-41.2257
Bond Count [?]
All:39
Single:26
Double:13
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:546.479
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:6.36
LogP (Chemaxon):7.59

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