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Chemical ID: 6326574
Chemical ID:
6326574
Name [?]:
2-bromo-N-[2-[(5-chloro-2-oxo-indolin-3-ylidene)aminocarbamoyl]ethyl]benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)NCCC(=O)NN=C2c3cc(ccc3NC2=O)Cl)Br
InChi [?]:
InChI=1/C18H14BrClN4O3/c19-13-4-2-1-3-11(13)17(26)21-8-7-15(25)23-24-16-12-9-10(20)5-6-14(12)22-18(16)27/h1-6,9H,7-8H2,(H,21,26)(H,23,25)(H,22,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,20,21,11,10,18,19,5,17,4,22,12,16,7,24,27,26,9,23,14,15,13,8,25/rA:27nCCCCCCCONCCCONNCCCCCCCNCOClBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;s16s23;d24;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14BrClN4O3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.74756 |
Area: | 627.591 |
Solvation: | -5.94221 |
Coulombic: | -60.6867 |
Bond Count [?]
All: | 29 |
Single: | 19 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 449.686 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 3.61 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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