Chemical ID: 7143429

CCc1ccc(cc1)NC2=NC(=O)C(=C3c4ccccc4N(C3=O)C(=O)C)S2
Chemical ID:
7143429
Name [?]:
1-acetyl-3-[2-(4-ethylphenyl)amino-4-oxo-thiazol-5-ylidene]-indolin-2-one
SMILES [?]:
CCc1ccc(cc1)NC2=NC(=O)C(=C3c4ccccc4N(C3=O)C(=O)C)S2
InChi [?]:
InChI=1/C21H17N3O3S/c1-3-13-8-10-14(11-9-13)22-21-23-19(26)18(28-21)17-15-6-4-5-7-16(15)24(12(2)25)20(17)27/h4-11H,3H2,1-2H3,(H,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,27,2,18,19,17,20,4,8,5,7,25,3,6,16,21,15,14,12,23,10,9,11,22,26,13,24,28/E:(8,9)(10,11)/rA:28nCCCCCCCCNCNCOCCCCCCCCNCOCOCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s15s22;d23;s22;d25;s25;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H17N3O3S
All Atoms:45
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.8876
Area:585.912
Solvation:-2.76024
Coulombic:-53.9976
Bond Count [?]
All:31
Single:20
Double:11
Rotors:4
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:391.444
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.13
LogP (Chemaxon):3.47

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Descriptor Annotations

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