Chemical ID: 7141075

CCCCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)Br)S2
Chemical ID:
7141075
Name [?]:
5-[(4-bromophenyl)methylene]-2-(4-butylphenyl)imino-thiazolidin-4-one
SMILES [?]:
CCCCc1ccc(cc1)N=C2NC(=O)C(=Cc3ccc(cc3)Br)S2
InChi [?]:
InChI=1/C20H19BrN2OS/c1-2-3-4-14-7-11-17(12-8-14)22-20-23-19(24)18(25-20)13-15-5-9-16(21)10-6-15/h5-13H,2-4H2,1H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,19,23,6,10,20,22,7,9,17,5,18,21,8,16,14,12,24,11,13,15,25/E:(5,6)(7,8)(9,10)(11,12)/rA:25nCCCCCCCCCCNCNCOCCCCCCCCBrS/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;w11;s12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19BrN2OS
All Atoms:44
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:13.0499
Area:594.006
Solvation:-1.8002
Coulombic:-31.4416
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:415.348
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.93
LogP (Chemaxon):6.8

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