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Chemical ID: 7143414
Chemical ID:
7143414
Name [?]:
3-[2-(2,4-dimethoxyphenyl)amino-4-oxo-thiazol-5-ylidene]indolin-2-one
SMILES [?]:
COc1ccc(c(c1)OC)NC2=NC(=O)C(=C3c4ccccc4NC3=O)S2
InChi [?]:
InChI=1/C19H15N3O4S/c1-25-10-7-8-13(14(9-10)26-2)21-19-22-18(24)16(27-19)15-11-5-3-4-6-12(11)20-17(15)23/h3-9H,1-2H3,(H,20,23)(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,10,20,21,19,22,4,5,8,3,18,23,6,7,17,16,25,14,12,24,11,13,26,15,2,9,27/rA:27nCOCCCCCCOCNCNCOCCCCCCCCNCOS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s6;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;s17s24;d25;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H15N3O4S |
All Atoms: | 42 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.63718 |
Area: | 566.577 |
Solvation: | -4.52723 |
Coulombic: | -63.9637 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 381.406 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 2.05 |
LogP (Chemaxon): | 2.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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