Chemical ID: 4315070

Cc1cccc(c1C)N2C(=O)C(=C3c4ccccc4N(C3=O)C)SC2=S
Chemical ID:
4315070
Name [?]:
3-[3-(2,3-dimethylphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-1-methyl-indolin-2-one
SMILES [?]:
Cc1cccc(c1C)N2C(=O)C(=C3c4ccccc4N(C3=O)C)SC2=S
InChi [?]:
InChI=1/C20H16N2O2S2/c1-11-7-6-10-14(12(11)2)22-19(24)17(26-20(22)25)16-13-8-4-5-9-15(13)21(3)18(16)23/h4-10H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,23,16,17,4,3,15,18,5,2,7,14,6,19,13,12,21,10,25,20,9,22,11,26,24/rA:26nCCCCCCCCNCOCCCCCCCCNCOCSCS/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s13s20;d21;s20;s12;s9s24;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H16N2O2S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.596
Area:549.773
Solvation:-2.14831
Coulombic:-35.9395
Bond Count [?]
All:29
Single:19
Double:10
Rotors:1
Chiral:1
Rigid Segments:2
Chemical Properties
Molecular Weight:380.485
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.06
LogP (Chemaxon):4.07

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