Chemical ID: 4471091

CN1c2ccc(cc2C(=C3C(=O)N=C(S3)N(C)c4ccc(cc4)Cl)C1=O)Br
Chemical ID:
4471091
Name [?]:
5-bromo-3-[2-[(4-chlorophenyl)-methyl-amino]-4-oxo-thiazol-5-ylidene]-1-methyl-indolin-2-one
SMILES [?]:
CN1c2ccc(cc2C(=C3C(=O)N=C(S3)N(C)c4ccc(cc4)Cl)C1=O)Br
InChi [?]:
InChI=1/C19H13BrClN3O2S/c1-23(12-6-4-11(21)5-7-12)19-22-17(25)16(27-19)15-13-9-10(20)3-8-14(13)24(2)18(15)26/h3-9H,1-2H3
InChi Info:
AuxInfo=1/0/N:17,1,5,20,22,19,23,4,7,6,21,18,8,3,9,10,11,25,14,27,24,13,16,2,12,26,15/E:(4,5)(6,7)/rA:27nCNCCCCCCCCCONCSNCCCCCCCClCOBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;w9;s10;d11;s11;d13;s10s14;s14;s16;s16;s18;d19;s20;d21;d18s22;s21;s2s9;d25;s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H13BrClN3O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:12.4195
Area:596.747
Solvation:-2.49923
Coulombic:-41.0796
Bond Count [?]
All:30
Single:20
Double:10
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:462.748
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.35
LogP (Chemaxon):4.85

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