Chemical ID: 4087481

CCN1c2ccccc2C(=C3C(=O)N(C(=S)S3)c4ccccc4)C1=O
Chemical ID:
4087481
Name [?]:
1-ethyl-3-(4-oxo-3-phenyl-2-thioxo-thiazolidin-5-ylidene)-indolin-2-one
SMILES [?]:
CCN1c2ccccc2C(=C3C(=O)N(C(=S)S3)c4ccccc4)C1=O
InChi [?]:
InChI=1/C19H14N2O2S2/c1-2-20-14-11-7-6-10-13(14)15(17(20)22)16-18(23)21(19(24)25-16)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,21,20,22,7,6,19,23,8,5,18,9,4,10,11,24,12,15,3,14,25,13,16,17/E:(4,5)(8,9)/rA:25nCCNCCCCCCCCCONCSSCCCCCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;w10;s11;d12;s12;s14;d15;s11s15;s14;s18;d19;s20;d21;d18s22;s3s10;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14N2O2S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.4768
Area:542.477
Solvation:-2.08511
Coulombic:-36.5603
Bond Count [?]
All:28
Single:18
Double:10
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:366.459
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.83
LogP (Chemaxon):3.48

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