Chemical ID: 6332429

CCOC(=O)CN1c2ccccc2C(=C3C(=O)N(C(=S)S3)c4ccc(cc4)OC)C1=O
Chemical ID:
6332429
Name [?]:
ethyl 2-[3-[3-(4-methoxyphenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-2-oxo-indolin-1-yl]acetate
SMILES [?]:
CCOC(=O)CN1c2ccccc2C(=C3C(=O)N(C(=S)S3)c4ccc(cc4)OC)C1=O
InChi [?]:
InChI=1/C22H18N2O5S2/c1-3-29-17(25)12-23-16-7-5-4-6-15(16)18(20(23)26)19-21(27)24(22(30)31-19)13-8-10-14(28-2)11-9-13/h4-11H,3,12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,29,2,11,10,12,9,23,27,24,26,6,22,25,13,8,4,14,15,30,16,19,7,18,5,31,17,28,3,20,21/E:(8,9)(10,11)/rA:31nCCOCOCNCCCCCCCCCONCSSCCCCCCOCCO/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;w14;s15;d16;s16;s18;d19;s15s19;s18;s22;d23;s24;d25;d22s26;s25;s28;s7s14;d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H18N2O5S2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:11.711
Area:661.841
Solvation:-4.83498
Coulombic:-60.6414
Bond Count [?]
All:34
Single:23
Double:11
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:454.521
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.44
LogP (Chemaxon):2.8

Name Annotations

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Descriptor Annotations

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