Chemical ID: 4992238

COc1ccc(cc1C=C2C(=O)N(C(=Nc3ccccc3)S2)c4ccccc4)Br
Chemical ID:
4992238
Name [?]:
5-[(5-bromo-2-methoxy-phenyl)methylene]-3-phenyl-2-phenylimino-thiazolidin-4-one
SMILES [?]:
COc1ccc(cc1C=C2C(=O)N(C(=Nc3ccccc3)S2)c4ccccc4)Br
InChi [?]:
InChI=1/C23H17BrN2O2S/c1-28-20-13-12-17(24)14-16(20)15-21-22(27)26(19-10-6-3-7-11-19)23(29-21)25-18-8-4-2-5-9-18/h2-15H,1H3
InChi Info:
AuxInfo=1/0/N:1,19,26,18,20,25,27,17,21,24,28,5,4,7,9,8,6,16,23,3,10,11,14,29,15,13,12,2,22/E:(4,5)(6,7)(8,9)(10,11)/rA:29nCOCCCCCCCCCONCNCCCCCCSCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;s13;w14;s15;s16;d17;s18;d19;d16s20;s10s14;s13;s23;d24;s25;d26;d23s27;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H17BrN2O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.0735
Area:568.099
Solvation:-3.12897
Coulombic:-34.038
Bond Count [?]
All:32
Single:20
Double:12
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:465.363
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.51
LogP (Chemaxon):6.82

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Descriptor Annotations

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