Chemical ID: 6332379

C=CN1c2ccccc2C(=C3C(=O)N(C(=S)S3)c4ccc(cc4)Cl)C1=O
Chemical ID:
6332379
Name [?]:
3-[3-(4-chlorophenyl)-4-oxo-2-thioxo-thiazolidin-5-ylidene]-1-vinyl-indolin-2-one
SMILES [?]:
C=CN1c2ccccc2C(=C3C(=O)N(C(=S)S3)c4ccc(cc4)Cl)C1=O
InChi [?]:
InChI=1/C19H11ClN2O2S2/c1-2-21-14-6-4-3-5-13(14)15(17(21)23)16-18(24)22(19(25)26-16)12-9-7-11(20)8-10-12/h2-10H,1H2
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,5,20,22,19,23,21,18,9,4,10,11,25,12,15,24,3,14,26,13,16,17/E:(7,8)(9,10)/rA:26nCCNCCCCCCCCCONCSSCCCCCCClCO/rB:d1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s11s15;s14;s18;d19;s20;d21;d18s22;s21;s3s10;d25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H11ClN2O2S2
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.1325
Area:568.313
Solvation:-2.0753
Coulombic:-36.7374
Bond Count [?]
All:29
Single:18
Double:11
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:398.888
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.48
LogP (Chemaxon):4.25

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