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Chemical ID: 7020844
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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