Chemical ID: 7142367

Cc1ccc(c(c1)N2C(=O)C(=Cc3ccc(cc3)[N+](=O)[O-])SC2=S)C
Chemical ID:
7142367
Name [?]:
3-(2,5-dimethylphenyl)-5-[(4-nitrophenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N2C(=O)C(=Cc3ccc(cc3)[N+](=O)[O-])SC2=S)C
InChi [?]:
InChI=1/C18H14N2O3S2/c1-11-3-4-12(2)15(9-11)19-17(21)16(25-18(19)24)10-13-5-7-14(8-6-13)20(22)23/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,3,4,14,18,15,17,7,12,2,5,13,16,6,11,9,23,8,19,10,20,21,24,22/E:(5,6)(7,8)(22,23)/CRV:20.5/rA:25nCCCCCCCNCOCCCCCCCCN+OO-SCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;d19;s19;s11;s8s22;d23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14N2O3S2
All Atoms:39
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:6.89184
Area:561.68
Solvation:-7.15017
Coulombic:-31.6018
Bond Count [?]
All:27
Single:17
Double:10
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.83
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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