Chemical ID: 7136868

CC(=O)N1c2ccccc2C(=C3C(=O)N=C(S3)Nc4cccc(c4Cl)Cl)C1=O
Chemical ID:
7136868
Name [?]:
1-acetyl-3-[2-(2,3-dichlorophenyl)amino-4-oxo-thiazol-5-ylidene]-indolin-2-one
SMILES [?]:
CC(=O)N1c2ccccc2C(=C3C(=O)N=C(S3)Nc4cccc(c4Cl)Cl)C1=O
InChi [?]:
InChI=1/C19H11Cl2N3O3S/c1-9(25)24-13-8-3-2-5-10(13)14(18(24)27)16-17(26)23-19(28-16)22-12-7-4-6-11(20)15(12)21/h2-8H,1H3,(H,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,8,7,21,9,22,20,6,2,10,23,19,5,11,24,12,13,27,16,26,25,18,15,4,3,14,28,17/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;s24;s23;s4s11;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H11Cl2N3O3S
All Atoms:39
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.375
Area:599.575
Solvation:-2.61434
Coulombic:-54.6165
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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