Chemical ID: 7141097

c1cc(ccc1C=C2C(=O)NC(=Nc3ccc(cc3Cl)Cl)S2)Br
Chemical ID:
7141097
Name [?]:
5-[(4-bromophenyl)methylene]-2-(2,4-dichlorophenyl)imino-thiazolidin-4-one
SMILES [?]:
c1cc(ccc1C=C2C(=O)NC(=Nc3ccc(cc3Cl)Cl)S2)Br
InChi [?]:
InChI=1/C16H9BrCl2N2OS/c17-10-3-1-9(2-4-10)7-14-15(22)21-16(23-14)20-13-6-5-11(18)8-12(13)19/h1-8H,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,16,15,7,18,6,3,17,19,14,8,9,12,23,21,20,13,11,10,22/E:(1,2)(3,4)/rA:23nCCCCCCCCCONCNCCCCCCClClSBr/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;d9;s9;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s17;s8s12;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H9BrCl2N2OS
All Atoms:32
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:12.1574
Area:563.492
Solvation:-1.92986
Coulombic:-30.5743
Bond Count [?]
All:25
Single:16
Double:9
Rotors:2
Chiral:2
Rigid Segments:3
Chemical Properties
Molecular Weight:428.131
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.13
LogP (Chemaxon):6.18

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