Chemical ID: 4325838

CCCN1c2ccccc2C(=C3C(=O)N(C(=S)S3)c4ccc(cc4)C)C1=O
Chemical ID:
4325838
Name [?]:
3-[4-oxo-3-(p-tolyl)-2-thioxo-thiazolidin-5-ylidene]-1-propyl-indolin-2-one
SMILES [?]:
CCCN1c2ccccc2C(=C3C(=O)N(C(=S)S3)c4ccc(cc4)C)C1=O
InChi [?]:
InChI=1/C21H18N2O2S2/c1-3-12-22-16-7-5-4-6-15(16)17(19(22)24)18-20(25)23(21(26)27-18)14-10-8-13(2)9-11-14/h4-11H,3,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,8,7,9,6,21,23,20,24,3,22,19,10,5,11,12,26,13,16,4,15,27,14,17,18/E:(8,9)(10,11)/rA:27nCCCNCCCCCCCCCONCSSCCCCCCCCO/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;d13;s13;s15;d16;s12s16;s15;s19;d20;s21;d22;d19s23;s22;s4s11;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H18N2O2S2
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.7034
Area:591.734
Solvation:-2.08991
Coulombic:-36.7207
Bond Count [?]
All:30
Single:20
Double:10
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:394.512
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.62
LogP (Chemaxon):4.41

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Descriptor Annotations

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