Chemical ID: 6988136

c1ccc(cc1)CNC(=O)CCC(=O)NN=C2c3cc(ccc3NC2=O)Br
Chemical ID:
6988136
Name [?]:
N-benzyl-N'-(5-bromo-2-oxo-indolin-3-ylidene)amino-butanediamide
SMILES [?]:
c1ccc(cc1)CNC(=O)CCC(=O)NN=C2c3cc(ccc3NC2=O)Br
InChi [?]:
InChI=1/C19H17BrN4O3/c20-13-6-7-15-14(10-13)18(19(27)22-15)24-23-17(26)9-8-16(25)21-11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,21,25)(H,23,26)(H,22,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,21,22,11,12,19,7,4,20,18,23,9,13,17,25,27,8,24,15,16,10,14,26/E:(2,3)(4,5)/rA:27nCCCCCCCNCOCCCONNCCCCCCCNCOBr/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s17s24;d25;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17BrN4O3
All Atoms:44
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.6023
Area:626.527
Solvation:-4.06093
Coulombic:-61.6055
Bond Count [?]
All:29
Single:19
Double:10
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:429.267
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:2.81
LogP (Chemaxon):2.65

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Descriptor Annotations

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