Chemical ID: 7143447

CCc1ccccc1NC2=NC(=O)C(=C3c4cc(ccc4NC3=O)Br)S2
Chemical ID:
7143447
Name [?]:
5-bromo-3-[2-(2-ethylphenyl)amino-4-oxo-thiazol-5-ylidene]-indolin-2-one
SMILES [?]:
CCc1ccccc1NC2=NC(=O)C(=C3c4cc(ccc4NC3=O)Br)S2
InChi [?]:
InChI=1/C19H14BrN3O2S/c1-2-10-5-3-4-6-13(10)22-19-23-18(25)16(26-19)15-12-9-11(20)7-8-14(12)21-17(15)24/h3-9H,2H2,1H3,(H,21,24)(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,7,19,20,17,3,18,16,8,21,15,14,23,12,10,25,22,9,11,24,13,26/rA:26nCCCCCCCCNCNCOCCCCCCCCNCOBrS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s11;d12;s12;w14;s15;s16;d17;s18;d19;d16s20;s21;s15s22;d23;s18;s10s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14BrN3O2S
All Atoms:40
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:11.6845
Area:562.397
Solvation:-2.37548
Coulombic:-50.2583
Bond Count [?]
All:29
Single:19
Double:10
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:428.303
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.71
LogP (Chemaxon):4.74

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