Chemical ID: 4619932

CC(=O)N1c2ccccc2C(=C3C(=O)N=C(S3)Nc4cc(cc(c4)Cl)Cl)C1=O
Chemical ID:
4619932
Name [?]:
1-acetyl-3-[2-(3,5-dichlorophenyl)amino-4-oxo-thiazol-5-ylidene]-indolin-2-one
SMILES [?]:
CC(=O)N1c2ccccc2C(=C3C(=O)N=C(S3)Nc4cc(cc(c4)Cl)Cl)C1=O
InChi [?]:
InChI=1/C19H11Cl2N3O3S/c1-9(25)24-14-5-3-2-4-13(14)15(18(24)27)16-17(26)23-19(28-16)22-12-7-10(20)6-11(21)8-12/h2-8H,1H3,(H,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,8,7,9,6,22,20,24,2,21,23,19,10,5,11,12,13,27,16,26,25,18,15,4,3,14,28,17/E:(7,8)(10,11)(20,21)/rA:28nCCONCCCCCCCCCONCSNCCCCCCClClCO/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;d13;s13;d15;s12s16;s16;s18;s19;d20;s21;d22;d19s23;s23;s21;s4s11;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H11Cl2N3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.4713
Area:608.862
Solvation:-2.75025
Coulombic:-53.6976
Bond Count [?]
All:31
Single:20
Double:11
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:432.28
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.48
LogP (Chemaxon):3.64

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Descriptor Annotations

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