Chemical ID: 6332357

Cc1cccc(c1)N2C(=O)C(=C3c4ccccc4N(C3=O)Cc5ccccc5)SC2=S
Chemical ID:
6332357
Name [?]:
1-benzyl-3-[3-(m-tolyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-indolin-2-one
SMILES [?]:
Cc1cccc(c1)N2C(=O)C(=C3c4ccccc4N(C3=O)Cc5ccccc5)SC2=S
InChi [?]:
InChI=1/C25H18N2O2S2/c1-16-8-7-11-18(14-16)27-24(29)22(31-25(27)30)21-19-12-5-6-13-20(19)26(23(21)28)15-17-9-3-2-4-10-17/h2-14H,15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,15,16,4,3,24,28,5,14,17,7,22,2,23,6,13,18,12,11,20,9,30,19,8,21,10,31,29/E:(3,4)(9,10)/rA:31nCCCCCCCNCOCCCCCCCCNCOCCCCCCCSCS/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;s12s19;d20;s19;s22;s23;d24;s25;d26;d23s27;s11;s8s29;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H18N2O2S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.4298
Area:634.342
Solvation:-2.42874
Coulombic:-38.0597
Bond Count [?]
All:35
Single:22
Double:13
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:442.555
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.55
LogP (Chemaxon):5.38

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Descriptor Annotations

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