Chemical ID: 6843182

c1ccc2c(c1)C(=C3C(=O)N=C(S3)Nc4ccc(cc4)F)C(=O)N2CC(=O)[O-]
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue