Chemical ID: 7142550

CCc1ccccc1N2C(=O)C(=C3c4ccccc4N(C3=O)C(=O)C)SC2=S
Chemical ID:
7142550
Name [?]:
1-acetyl-3-[3-(2-ethylphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-indolin-2-one
SMILES [?]:
CCc1ccccc1N2C(=O)C(=C3c4ccccc4N(C3=O)C(=O)C)SC2=S
InChi [?]:
InChI=1/C21H16N2O3S2/c1-3-13-8-4-6-10-15(13)23-20(26)18(28-21(23)27)17-14-9-5-7-11-16(14)22(12(2)24)19(17)25/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,2,5,16,6,17,4,15,7,18,23,3,14,8,19,13,12,21,10,27,20,9,24,22,11,28,26/rA:28nCCCCCCCCNCOCCCCCCCCNCOCOCSCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s19;s13s20;d21;s20;d23;s23;s12;s9s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H16N2O3S2
All Atoms:44
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:11.7413
Area:567.456
Solvation:-2.44509
Coulombic:-44.4382
Bond Count [?]
All:31
Single:20
Double:11
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.96
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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