Chemical ID: 7021582

CCCN1c2ccc(cc2C(=NNC(=O)c3cc(ccc3O)Br)C1=O)C
Chemical ID:
7021582
Name [?]:
5-bromo-2-hydroxy-N-(5-methyl-2-oxo-1-propyl-indolin-3-ylidene)amino-benzamide
SMILES [?]:
CCCN1c2ccc(cc2C(=NNC(=O)c3cc(ccc3O)Br)C1=O)C
InChi [?]:
InChI=1/C19H18BrN3O3/c1-3-8-23-15-6-4-11(2)9-13(15)17(19(23)26)21-22-18(25)14-10-12(20)5-7-16(14)24/h4-7,9-10,24H,3,8H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,26,2,7,19,6,20,3,9,17,8,18,10,16,5,21,11,14,24,23,12,13,4,22,15,25/rA:26nCCCNCCCCCCCNNCOCCCCCCOBrCOC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;w11;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;s18;s4s11;d24;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18BrN3O3
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.7335
Area:584.527
Solvation:-3.87966
Coulombic:-54.2869
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:416.269
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.04
LogP (Chemaxon):4.84

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Descriptor Annotations

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