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Chemical ID: 6843182
Chemical ID:
6843182
Name [?]:
2-[3-[2-(4-fluorophenyl)amino-4-oxo-thiazol-5-ylidene]-2-oxo-indolin-1-yl]acetate
SMILES [?]:
c1ccc2c(c1)C(=C3C(=O)N=C(S3)Nc4ccc(cc4)F)C(=O)N2CC(=O)[O-]
InChi [?]:
InChI=1/C19H12FN3O4S/c20-10-5-7-11(8-6-10)21-19-22-17(26)16(28-19)15-12-3-1-2-4-13(12)23(18(15)27)9-14(24)25/h1-8H,9H2,(H,24,25)(H,21,22,26)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,17,19,16,20,25,18,15,5,4,26,7,8,9,22,12,21,14,11,24,27,28,10,23,13/E:(5,6)(7,8)(24,25)/rA:28nCCCCCCCCCONCSNCCCCCCFCONCCOO-/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;d9;s9;d11;s8s12;s12;s14;s15;d16;s17;d18;d15s19;s18;s7;d22;s4s22;s24;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H11FN3O4S- |
All Atoms: | 39 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -32.7383 |
Area: | 570.297 |
Solvation: | -46.9957 |
Coulombic: | -46.569 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 4 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 396.373 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 7 |
XLogP: | 1.43 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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