Chemical ID: 7020844

c1ccc(c(c1)C(=O)NCCCC(=O)NN=C2c3cc(cc(c3NC2=O)Cl)Cl)Br
Chemical ID:
7020844
Name [?]:
2-bromo-N-[3-[(5,7-dichloro-2-oxo-indolin-3-ylidene)aminocarbamoyl]propyl]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCCCC(=O)NN=C2c3cc(cc(c3NC2=O)Cl)Cl)Br
InChi [?]:
InChI=1/C19H15BrCl2N4O3/c20-13-5-2-1-4-11(13)18(28)23-7-3-6-15(27)25-26-17-12-8-10(21)9-14(22)16(12)24-19(17)29/h1-2,4-5,8-9H,3,6-7H2,(H,23,28)(H,25,27)(H,24,26,29)
InChi Info:
AuxInfo=1/1/N:1,2,11,6,3,12,10,19,21,20,5,18,4,22,13,23,17,7,25,29,28,27,9,24,15,16,14,8,26/rA:29nCCCCCCCONCCCCONNCCCCCCCNCOClClBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;s17s24;d25;s22;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15BrCl2N4O3
All Atoms:44
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.7225
Area:689.302
Solvation:-4.51008
Coulombic:-62.7043
Bond Count [?]
All:31
Single:21
Double:10
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:498.157
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:4.59
LogP (Chemaxon):3.17

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Descriptor Annotations

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