Chemical ID: 7185598

c1ccc2c(c1)C(=C3C(=O)N=C(S3)Nc4ccc(cc4)Cl)C(=O)N2CC(=O)[O-]
Chemical ID:
7185598
Name [?]:
2-[3-[2-(4-chlorophenyl)amino-4-oxo-thiazol-5-ylidene]-2-oxo-indolin-1-yl]acetate
SMILES [?]:
c1ccc2c(c1)C(=C3C(=O)N=C(S3)Nc4ccc(cc4)Cl)C(=O)N2CC(=O)[O-]
InChi [?]:
InChI=1/C19H12ClN3O4S/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:28nCCCCCCCCCONCSNCCCCCCClCONCCOO-/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:C19H11ClN3O4S-
All Atoms:39
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:-31.2409
Area:599.443
Solvation:-46.227
Coulombic:-43.6546
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:412.827
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:1.89
LogP (Chemaxon):2.91

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Descriptor Annotations

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