Chemical ID: 7139861

CC(=C1C(=O)N(C(=S)S1)c2ccccc2)c3ccc(cc3)N
Chemical ID:
7139861
Name [?]:
5-[1-(4-aminophenyl)ethylidene]-3-phenyl-2-thioxo-thiazolidin-4-one
SMILES [?]:
CC(=C1C(=O)N(C(=S)S1)c2ccccc2)c3ccc(cc3)N
InChi [?]:
InChI=1/C17H14N2OS2/c1-11(12-7-9-13(18)10-8-12)15-16(20)19(17(21)22-15)14-5-3-2-4-6-14/h2-10H,18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,14,11,15,17,21,18,20,2,16,19,10,3,4,7,22,6,5,8,9/E:(3,4)(5,6)(7,8)(9,10)/rA:22nCCCCONCSSCCCCCCCCCCCCN/rB:s1;w2;s3;d4;s4;s6;d7;s3s7;s6;s10;d11;s12;d13;d10s14;s2;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2OS2
All Atoms:36
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.7353
Area:507.713
Solvation:-1.95754
Coulombic:-36.5635
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:326.438
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.72
LogP (Chemaxon):3.86

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Descriptor Annotations

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