Chemical ID: 5061171

Cc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)Br)SC2=S
Chemical ID:
5061171
Name [?]:
5-[(4-bromophenyl)methylene]-3-(p-tolyl)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(cc1)N2C(=O)C(=Cc3ccc(cc3)Br)SC2=S
InChi [?]:
InChI=1/C17H12BrNOS2/c1-11-2-8-14(9-3-11)19-16(20)15(22-17(19)21)10-12-4-6-13(18)7-5-12/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,14,18,15,17,4,6,12,2,13,16,5,11,9,21,19,8,10,22,20/E:(2,3)(4,5)(6,7)(8,9)/rA:22nCCCCCCCNCOCCCCCCCCBrSCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;s11;s8s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H12BrNOS2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:11.4954
Area:523.732
Solvation:-1.59795
Coulombic:-20.8271
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:390.319
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.63
LogP (Chemaxon):5.75

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