Chemical ID: 7143427

Cc1ccc(cc1NC2=NC(=O)C(=C3c4ccccc4N(C3=O)C(=O)C)S2)C(=O)O
Chemical ID:
7143427
Name [?]:
3-[5-(1-acetyl-2-oxo-indolin-3-ylidene)-4-oxo-thiazol-2-yl]amino-4-methyl-benzoic acid
SMILES [?]:
Cc1ccc(cc1NC2=NC(=O)C(=C3c4ccccc4N(C3=O)C(=O)C)S2)C(=O)O
InChi [?]:
InChI=1/C21H15N3O5S/c1-10-7-8-12(20(28)29)9-14(10)22-21-23-18(26)17(30-21)16-13-5-3-4-6-15(13)24(11(2)25)19(16)27/h3-9H,1-2H3,(H,28,29)(H,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,26,17,18,16,19,3,4,6,2,24,5,15,7,20,14,13,11,22,28,9,8,10,21,25,12,23,29,30,27/E:(28,29)/rA:30nCCCCCCCNCNCOCCCCCCCCNCOCOCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s20;s14s21;d22;s21;d24;s24;s9s13;s5;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H15N3O5S
All Atoms:45
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.123
Area:594.844
Solvation:-3.74806
Coulombic:-80.2487
Bond Count [?]
All:33
Single:21
Double:12
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:421.427
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:2.07
LogP (Chemaxon):2.59

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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